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Journal articles on the topic 'CO adsorption'

Author: Grafiati

Published: 4 June 2021

Last updated: 8 June 2024

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1

Zhong, Shuying, Fanghua Ning, Fengya Rao, Xueling Lei, Musheng Wu, and Lang Zhou. "First-principles study of nitrogen and carbon monoxide adsorptions on silicene." International Journal of Modern Physics B 30, no. 25 (September 28, 2016): 1650176. http://dx.doi.org/10.1142/s0217979216501769.

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Atomic adsorptions of N, C and O on silicene and molecular adsorptions of N2 and CO on silicene have been investigated using the density functional theory (DFT) calculations. For the atomic adsorptions, we find that the N atom has the most stable adsorption with a higher adsorption energy of 8.207 eV. For the molecular adsorptions, we find that the N2 molecule undergoes physisorption while the CO molecule undergoes chemisorption, the corresponding adsorption energies for N2 and CO are 0.085 and 0.255 eV, respectively. Therefore, silicene exhibits more reactivity towards the CO adsorption than the N2 adsorption. The differences of charge density and the integrated charge calculations suggest that the charge transfer for CO adsorption ([Formula: see text]0.015[Formula: see text]) is larger than that for N2 adsorption ([Formula: see text]0.005[Formula: see text]). This again supports that CO molecule is more active than N2 molecule when they are adsorbed onto silicene.

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2

J, Hedi. "CO 2 Adsorption on Activated Carbon." Petroleum & Petrochemical Engineering Journal 5, no. 4 (2021): 1–2. http://dx.doi.org/10.23880/ppej-16000289.

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3

Saryati, Saryati, and Sumardjo Sumardjo. "SQUARE WAVE CATHODIC STRIPPING VOLTAMMETRY ADSORPTIVE FOR NICKEL AND COBALT ANALYSIS." Indonesian Journal of Chemistry 6, no. 2 (June 14, 2010): 161–64. http://dx.doi.org/10.22146/ijc.21753.

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The adsorptive stripping voltammetric determination of Ni and Co based on adsorption of the Ni/Co and dimethylglioxime (DMG) complex on a hanging mercury drop electrode is studied. The reduction current of the adsorbed DMG complex is measured by square wave cathodic stripping voltammetry method. The effect of various parameters such as ligand concentration, pH of supporting electrolytic, adsorption potential and adsorption time on the current peak of Ni and Co voltammogram were studied. Optimum condition of this method are supporting electrolyte pH 9, DMG concentration 5×10 -4 M, adsorption potential -0.7 V vs Ag/AgCl and adsorption time 180 second. A linier relationship between the current peak and Ni or Co concentration was obtained in the range 5 - 30 ng/mL and the detection limit 0.6 ng/ml for both Ni and Co. The recovery of Ni and Co were 98.11-104.17% using standard biological materials with RSD 2.59 - 10.37%. Based on ";t"; test can be conclude that the result are nearly equal to the standard reference material. Keywords: adsorptive stripping voltammetric, dimethylglioxime complex, nickel, cobalt

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4

Xie, Xiong, Xu Li, and Lichun Dong. "Convenient synthesis of Co-base metal-organic frameworks to effectively adsorb and remove Cr(VI) from aqueous." Journal of Physics: Conference Series 2563, no. 1 (August 1, 2023): 012026. http://dx.doi.org/10.1088/1742-6596/2563/1/012026.

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Abstract Herein, we reported the synthesis of a series of well-defined regular cobalt-based metal-organic frameworks (MOFs) from 3D to 2D phases through a facile synthesis method and confirm their effective adsorption behavior for Cr(VI) in aqueous. The equilibrium adsorptive capacities of ZIF-67, ZIF-L-Co-H, ZIF-L-Co-L, and ZIF-L-Co were 27.7, 28, 28.2, and 32 mg/g, respectively. ZIF-L-Co nanosheet morphology exhibited excellent adsorption performance for Cr(VI) in water for the first time, and sharp adsorption speed was also presented at the relevant initial concentrations. The Cr(VI) adsorption process demonstrated that the result well fitted the Langmuir isotherm model of 32.5 mg g-1 with uniform monolayer adsorption. The findings provided a broader understanding of Co-MOFs application as the Cr(VI) removal of wastewater.

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5

Yang, Guang Jian, Rui Qun Liu, and Fang Xia. "Study on the Adsorption Behavior of Co(II) on Modified Sodium Trititanate Whisker." Advanced Materials Research 230-232 (May 2011): 1063–66. http://dx.doi.org/10.4028/www.scientific.net/amr.230-232.1063.

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The modification of sodium trititanate whisker surface was performed by means of impregnation procedure to fabricate the modified sodium trititanate whisker, which was characterized by infrared spectroscopy(IR). Its adsorptive performance for Co(II) in a static system was investigated by FAAS. The main factors affecting adsorption and desorption of Co(II), the adsorptive capacity of Co(II) in optimal condition and adsorption isotherm. The adsorptive rate for Co(II) on 0.2500 g of modified sodium trititanate whisker at PH 6.0 was the best. Co(II) adsorbed on the modified sodium tretitanate whisker could be eluted with 10 mL of 3.0 mol/L HCl. The adsorptive performance of modified sodium trititanate whisker was better than that of unmodified sodium trititanate whisker.

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6

Jenkins, S. J., and D. A. King. "Theory of CO adsorption on Co{}." Surface Science 504 (April 2002): 138–44. http://dx.doi.org/10.1016/s0039-6028(01)01960-4.

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7

Itas, Yahaya Saadu, Abdussalam Balarabe Suleiman, Chifu E. Ndikilar, Abdullahi Lawal, Razif Razali, and Amina Muhammad Danmadami. "Effects of Ir and B co-doping on H2 adsorption properties of armchair carbon nanotubes using Optical Spectra Analysis for energy storage." Gadau Journal of Pure and Allied Sciences 2, no. 1 (April 10, 2023): 30–39. http://dx.doi.org/10.54117/gjpas.v2i1.58.

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In this research, DFT+U approach was used to investigate the performance of Iridium (Ir) and Boron (B) co-doped armchair (8, 8) Single-walled Carbon Nanotube (SWCNT). Calculations of the structural electronic and optical spectra analysis of the system under study were carried out using the ab’initio quantum simulations implemented in Quantum ESPRESSO and thermo_pw codes within the popular density functional theory. In the doping process, carbon atoms have been replaced by Ir and B atoms in the SWCNT, the investigations were done on the basis of distance of H2 (d) from the co-doped SWCNT at intervals of 6.12 Å, 6.45 Å and 6.77Å, variations of temperature, variations of external electric field, band gaps, optical adsorptions and binding energy variations were all taken in to account. It is found that Ir/B co-doping in pristine SWCNT significantly enhanced the H2 adsorption capacity of the SWCNT. Furthermore, an increase in temperature decrease the performance ability of the co-doped SWCNT, negative adsorptions intensities were recorded by temperature increase by 650, 700 and 750 0C, this can be termed as exothermic adsorption. Therefore it can be demonstrated that H2 by co-doped SWCNT undergoes endothermic adsorption under ambient temperature and shows exothermic adsorption under higher temperatures.

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8

Causa, M., E. Kotomin, C. Pisani, and C. Roetti. "The MgO(110) surface and CO adsorption thereon. II. CO adsorption." Journal of Physics C: Solid State Physics 20, no. 30 (October 30, 1987): 4991–97. http://dx.doi.org/10.1088/0022-3719/20/30/021.

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9

Zhang, Meng, Guoqing Li, Xiaomin Lu, Qianru Zhang, and Wei Li. "First-principle study of SO2 adsorption on Fe/Co-doped vacancy defected single-walled (8, 0) carbon nanotubes in sensor applications." Journal of Theoretical and Computational Chemistry 18, no. 05 (August 2019): 1950025. http://dx.doi.org/10.1142/s0219633619500251.

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To explore the excellent sensor for detecting the pollution gas [Formula: see text], the adsorptions of [Formula: see text] molecule on the surfaces of Fe/Co-doped carbon nanotubes (CNTs) and single vacancy defected (8, 0) CNTs were investigated by using density functional theory (DFT). In addition, the adsorption energies, geometries, energy gaps and electronic structures were analyzed. The results showed that Fe/Co-doping and single-vacancy-defected can improve the adsorption and sensitiveness of CNTs toward [Formula: see text]. Considering the changes of energy gap before and after the [Formula: see text] molecule adsorbed on each modified CNTs and its adsorption strength, Fe-doped CNTs (Fe-CNTs) and Co-doped site-2 single-vacancy-defected CNTs performed better for detecting [Formula: see text] molecule. With the decreasing number of electrons of the doped atom (Fe, Co, Ni), the adsorption became more stable. The results of this paper are profound and meaningful for designing [Formula: see text] sensing devices.

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10

Honkala, Karoliina, Päivi Pirilä, and Kari Laasonen. "CO and NO adsorption and co-adsorption on the Pd(111) surface." Surface Science 489, no. 1-3 (August 2001): 72–82. http://dx.doi.org/10.1016/s0039-6028(01)01135-9.

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11

Marey, A., and Doaa F. Ahmed. "Batch Adsorption Studies of Natural Composite Hydrogel for Removal of Co(II) Ions." Journal of Applied Membrane Science & Technology 26, no. 3 (November 20, 2022): 13–18. http://dx.doi.org/10.11113/amst.v26n3.244.

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Innovative methods for handling industrial wastewater containing heavy metals has been receiving significant attention from researchers in recent years. Proper treatment of wastewater is compulsory to avoid the release of toxic heavy metal ions into water bodies. In this study, we developed a new adsorptive material, i.e., orange peel/acrylamide composite hydrogel for the removal of Co(II) ions from aqueous solution. The results showed that the adsorption of Co(II) by our hydrogen was well-fitted with the pseudo-second-order model. Its adsorption rate against Co(II) ions could reach up to 56 mg/g at pH 6. Further investigations are still needed to maximize the adsorption capacity of orange peel/acrylamide composite hydrogel.

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12

Ganzmann, I., D. Borgmann, and G. Wedler. "Co-adsorption of CO and O2on Fe." Molecular Physics 76, no. 4 (July 1992): 823–31. http://dx.doi.org/10.1080/00268979200101711.

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13

Toomes, R. L., and D. A. King. "The adsorption of CO on Co{100}." Surface Science 349, no. 1 (March 1996): 1–18. http://dx.doi.org/10.1016/0039-6028(95)01049-1.

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14

Lei, S. Y., S. Luan, and H. Yu. "Co-doped phosphorene: Enhanced sensitivity of CO gas sensing." International Journal of Modern Physics B 32, no. 06 (February 26, 2018): 1850068. http://dx.doi.org/10.1142/s0217979218500686.

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First-principle calculation was carried out to systematically investigate carbon monoxide (CO) adsorption on pristine and cobalt (Co)-doped phosphorenes (Co-bP). Whether or not CO is adsorped, pristine phosphorene is a direct-band-gap semiconductor. However, the bandgap of Co-bP experiences direct-to-indirect transition after CO molecule adsorption, which will affect optical absorption considerably, implying that Co doping can enhance the sensitivity of phosphorene as a CO gas sensor. Moreover, Co doping can improve an adsorption energy of CO to 1.31 eV, as compared with pristine phosphorene (0.12 eV), also indicating that Co-bP is energetically favorable for CO gas sensing.

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15

Han, Kun Kun, Yu Zhou, Jing Jia Wen, and Jian Hua Zhu. "Novel CO₂ Capturer Derived from SBA-15 Monolith Coated with Amine." Advanced Materials Research 287-290 (July 2011): 3081–84. http://dx.doi.org/10.4028/www.scientific.net/amr.287-290.3081.

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A new strategy of preparing the efficient CO2 adsorbent without further molding is reported in this article. This novel shaped CO2 capturer is obtained by coating amine on the SBA-15 monolith with a specific 3D net-linked morphology that favors the accessibility of amine guest in the channel. The resulting composites are characterized with XRD, N2 adsorption, SEM and TEM techniques, and their adsorptive ability is assessed with CO2-TPD test, offering a high adsorption capacity of 144 mg g-1and stable cyclic adsorption-desorption performance for potential application.

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16

Morales, M. I., M. N. Blanco, and H. J. Thomas. "The Mo-Co-Al2O3 System. II) Model of Adsorption of Molybdenum on Al2O3 and on Co-Al2O3." Adsorption Science & Technology 5, no. 1 (March 1988): 57–64. http://dx.doi.org/10.1177/026361748800500106.

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A model which interprets the equilibrium adsorption of molybdenum on Al2O3 and on Co-Al2O3 is presented. This model assumes the adsorption of monomelic and polymeric species of molybdenum on two different adsorption sites of the support. It is proposed a) that the adsorption mechanism can be represented by two independent adsorption reactions; b) that each species is adsorbed only on one type of site, and c) that the adsorption isotherms can be represented by the sum of a Langmuir type expression for the monomer and a sigmoidal one for the polymer. By applying this model to the experimental isotherms obtained for the two systems under study (Mo/Al2O3 and Mo/Co-Al2O3), the equilibrium constants for adsorption on site 1 (K,) and on site 2 (K2) and the numbers of adsorption sites S1 and S2 have been estimated. This adsorption model was confirmed by experimental results data and by spectroscopic studies.

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17

GONZÁLEZ, ESTELA A., PAULA V. JASEN, JORGE PIERINI, GRACIELA BRIZUELA, and ALFREDO JUAN. "THE CO-ADSORPTION OF BENZENE ANDCOONCo(0001)." Surface Review and Letters 16, no. 05 (October 2009): 749–55. http://dx.doi.org/10.1142/s0218625x09013104.

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The co-adsorption of carbon monoxide and benzene on Co (0001) has been studied using density functional calculations. We used the ordered [Formula: see text] surface unit cell. A comparison of the co-adsorption with CO and benzene two-dimensional networks is also given. The electronic structure reveals that the CO orbitals interact with benzene and Co layer. Regarding the bonding, the Co–Co overlap population decrease 18% after benzene adsorption and increase a little after CO adsorption with a net 14.6% decrease in the co-adsorption system. The CO –benzene interaction is shown by the changes in the C – O ( CO ) and C – H (benzene) bonds.

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18

Adeyi, Abel Adekanmi, Siti Nurul Ain Md Jamil, Luqman Chuah Abdullah, Thomas Shean Yaw Choong, Kia Li Lau, and Mohammad Abdullah. "Adsorptive Removal of Methylene Blue from Aquatic Environments Using Thiourea-Modified Poly(Acrylonitrile-co-Acrylic Acid)." Materials 12, no. 11 (May 28, 2019): 1734. http://dx.doi.org/10.3390/ma12111734.

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The paper evaluates the adsorptive potential of thiourea-modified poly(acrylonitrile-co-acrylic acid), (TA-poly(AN-co-AA)) for the uptake of cationic methylene blue (MB) from aquatic environments via a batch system. TA-poly(AN-co-AA) polymer was synthesized through redox polymerization and modified with thiourea (TA) where thioamide groups were introduced to the surface. Fourier transform infrared (FT-IR) spectroscopy, scanning electron microscopy (SEM), CHNS and Zetasizer were used to characterize the physico-chemical and morphological properties of prepared TA-poly(AN-co-AA). Afterwards, it was confirmed that incorporation of thioamide groups was successful. The adsorption kinetics and equilibrium adsorption data were best described, respectively, by a pseudo-second-order model and Freundlich model. Thermodynamic analysis showed the exothermic and spontaneous nature of MB uptake by TA-poly(AN-co-AA). The developed TA-poly(AN-co-AA) polymer demonstrated efficient separation of MB dye from the aqueous solution and maintained maximum adsorption capacity after five regeneration cycles. The findings of this study suggested that synthesized TA-poly(AN-co-AA) can be applied successfully to remove cationic dyes from aquatic environments.

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19

Légaré, P., B. Madani, G. Cabeza, and N. Castellani. "CO Adsorption on Co(0001)-Supported Pt Overlayers." International Journal of Molecular Sciences 2, no. 5 (November 13, 2001): 246–50. http://dx.doi.org/10.3390/i2050246.

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20

Tsud, N., V. Dudr, S. Fabı́k, C. Brun, V. Cháb, V. Matolı́n, and K. C. Prince. "Co-adsorption of CO and Pb on Pd." Surface Science 560, no. 1-3 (July 2004): 259–68. http://dx.doi.org/10.1016/j.susc.2004.04.056.

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21

Vaari, J., T. Vaara, J. Lahtinen, and P. Hautojärvi. "Adsorption of CO on Mg-promoted Co(poly)." Applied Surface Science 81, no. 3 (November 1994): 289–97. http://dx.doi.org/10.1016/0169-4332(94)90286-0.

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22

Baraldi, A., L. Gregoratti, G. Comelli, V. R. Dhanak, M. Kiskinova, and R. Rosei. "CO adsorption and CO oxidation on Rh(100)." Applied Surface Science 99, no. 1 (May 1996): 1–8. http://dx.doi.org/10.1016/0169-4332(95)00448-3.

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23

Jones, I. Z., R. A. Bennett, and M. Bowker. "CO adsorption on Pd(110)." Surface Science 402-404 (May 1998): 595–98. http://dx.doi.org/10.1016/s0039-6028(98)00005-3.

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24

Benndorf, Carsten, and Lutz Meyer. "CO adsorption on Ni(551)." Surface Science Letters 251-252 (July 1991): A364. http://dx.doi.org/10.1016/0167-2584(91)90987-3.

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25

Benndorf, Carsten, and Lutz Meyer. "CO adsorption on Ni(551)." Surface Science 251-252 (July 1991): 872–76. http://dx.doi.org/10.1016/0039-6028(91)91115-e.

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26

Liu, Xingping, Fumin Wang, Yalan Zhao, Arepati Azhati, Xingtao Wang, Zhengliang Zhang, and Xueqian Lv. "First Principles Investigation of C, Cl2 and CO Co-Adsorption on ZrSiO4 Surfaces for Carbochlorination Reaction." Materials 17, no. 7 (March 26, 2024): 1500. http://dx.doi.org/10.3390/ma17071500.

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The study of the adsorption behavior of C, CO and Cl2 on the surface of ZrSiO4 is of great significance for the formulation of the technological parameters in the carbochlorination reaction process. Based on first principles, the adsorption structure, adsorption energy, Barder charge, differential charge density, partial density of states and energy barrier were calculated to research the adsorption and reaction mechanism of C and Cl2 on ZrSiO4 surfaces. The results indicated that when C, CO and Cl2 co-adsorbed on the surface of ZrSiO4, they interacted with surface atoms and the charge transfer occurred. The Cl2 molecules dissociated and formed Zr-Cl bonds, while C atoms formed C1=O1 bonds with O atoms. Compared with CO, the co-adsorption energy and reaction energy barrier of C and Cl2 are lower, and the higher the C content, the lower the adsorption energy and energy barrier, which is beneficial for promoting charge transfer and the dissociation of Cl2. The 110-2C-2Cl2 has the lowest adsorption energy and the highest reaction activity, with adsorption energy and energy barriers of −13.45 eV and 0.02 eV. The electrons released by C are 2.30 e, while the electrons accepted by Cl2 are 2.37 e.

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27

Shetty, Sharan, Sebastian Strych, A. P. J. Jansen, and Rutger A. van Santen. "Theoretical investigation of CO adsorption on Rhn (n = 3–13) clusters." Canadian Journal of Chemistry 87, no. 7 (July 2009): 824–31. http://dx.doi.org/10.1139/v09-015.

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The adsorption of CO onto Rhn (n = 3–13) clusters has been investigated using the density functional approach. Stable active sites for CO adsorption such as top, bridge, and hollow have been identified on these clusters. Our results show that CO mostly prefers the bridge or top site, except on the Rh4 and Rh11 clusters where it prefers hollow sites. Rh6 demonstrates two different active sites of almost equal energies for CO adsorption. Highly stable clusters show weak CO adsorption behavior. We also observe that the magnetic moment of the clusters is usually reduced after the CO adsorption. The preference of the active sites for CO adsorption has been analyzed using the charge density difference plots.

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28

Milushev, Atanas, and Konstantin Hadjiivanov. "FTIR study of CO and NOx adsorption and co-adsorption on Cu/silicalite-1." Physical Chemistry Chemical Physics 3, no. 23 (November 26, 2001): 5337–41. http://dx.doi.org/10.1039/b105722g.

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29

Ivanova, Elena, Mihail Mihaylov, Frédéric Thibault-Starzyk, Marco Daturi, and Konstantin Hadjiivanov. "FTIR spectroscopy study of CO and NO adsorption and co-adsorption on Pt/TiO2." Journal of Molecular Catalysis A: Chemical 274, no. 1-2 (September 2007): 179–84. http://dx.doi.org/10.1016/j.molcata.2007.05.006.

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30

Ezzuldin M. Saber, Shihab, Siti Nurul Ain Md Jamil, Luqman Chuah Abdullah, Thomas Shean Yaw Choong, and Teo Ming Ting. "Insights into the p-nitrophenol adsorption by amidoxime-modified poly(acrylonitrile-co-acrylic acid): characterization, kinetics, isotherm, thermodynamic, regeneration and mechanism study." RSC Advances 11, no. 14 (2021): 8150–62. http://dx.doi.org/10.1039/d0ra10910j.

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31

Xie, Tingyue, Ping Wang, Cuifeng Tian, Guozheng Zhao, Jianfeng Jia, Chenxu Zhao, and Haishun Wu. "The Adsorption Behavior of Gas Molecules on Co/N Co–Doped Graphene." Molecules 26, no. 24 (December 20, 2021): 7700. http://dx.doi.org/10.3390/molecules26247700.

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Herein, we have used density functional theory (DFT) to investigate the adsorption behavior of gas molecules on Co/N3 co–doped graphene (Co/N3–gra). We have investigated the geometric stability, electric properties, and magnetic properties comprehensively upon the interaction between Co/N3–gra and gas molecules. The binding energy of Co is −5.13 eV, which is big enough for application in gas adsorption. For the adsorption of C2H4, CO, NO2, and SO2 on Co/N–gra, the molecules may act as donors or acceptors of electrons, which can lead to charge transfer (range from 0.38 to 0.7 e) and eventually change the conductivity of Co/N–gra. The CO adsorbed Co/N3–gra complex exhibits a semiconductor property and the NO2/SO2 adsorption can regulate the magnetic properties of Co/N3–gra. Moreover, the Co/N3–gra system can be applied as a gas sensor of CO and SO2 with high stability. Thus, we assume that our results can pave the way for the further study of gas sensor and spintronic devices.

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32

Yang, Li Yan, Yi Hui Guo, Li Li Yu, and Jing You. "Study on Adsorption of Crosslinked Starch Microspheres towards Heavy Metal Ions." Advanced Materials Research 834-836 (October 2013): 531–35. http://dx.doi.org/10.4028/www.scientific.net/amr.834-836.531.

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A type of cross-linking starch microsphere (CSMs) has been synthesized via reversed phase suspension method. Crosslinked starch microsphere has good adsorption performance to metal ions in water. The adsorption kinetics of Co (II) on the CSMs, selectivity of adsorption CSMs towards Co (II),Cu (II),Pb (II),Cd (II) and adsorption effects of media towards Co (II) were investigated. The CSMs and its adsorption product were comparatively characterized by X-ray diffraction (XRD). The results showed that The adsorption rate is mainly controlled by liquid film diffusion, and the constant of adsorption rate is 0.0686min-1 at 308K. The crystal structure of the CSMs decreased greatly after the incorporation of Co (II). Co (II) has better adsorption selectivity on CSMs. Ions coexist and other substances in the solution have certain impact on adsorption. Those data are helpful for treatment of the wastewater containing heavy ions.

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33

Zhao, Qi, Jin He, Songyuan Li, Suya Li, Qi Ning, and Hao Cui. "DFT Calculations of Silver Atom Modified Tungsten Disulfide Monolayer as Promising Sensing Materials for Small Molecular Toxic Gases." Applied Sciences 13, no. 23 (November 21, 2023): 12559. http://dx.doi.org/10.3390/app132312559.

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In the contemporary context, the significance of detecting harmful gases cannot be overstated, as it profoundly affects both environmental integrity and human welfare. In this study, theoretically, density functional theory was employed to explore the adsorption behavior of three prevalent hazardous gases, namely CO, NO2, and SO2, on silver-atom-modified tungsten disulfide (WS2) monolayer. The multifaceted analysis encompasses an array of critical aspects, including the adsorption structure, adsorption energy, electron transfer, and charge density difference to unravel the adsorption behavior. Further exploration of electronic properties encompassing band structure, density of states (DOS), and work function was conducted. The ambit of our exploration extends to the desorption properties based on adsorption-free energies. Among these gas molecules, NO2 stands out with the highest adsorption energy and the most substantial electron transfer. Notably, each of these adsorption processes triggers a redistribution of electron density, with NO2 exhibiting the most pronounced effect. Furthermore, the adsorptions of CO, NO2, and SO2 induce a noteworthy reduction in the band gap, prompting the reconfiguration of molecular orbitals. Additionally, the adsorption of these gases also leads to an increase in the work function of Ag-WS2 to a different extent. Our investigation of desorption properties uncovers that Ag-WS2 can adeptly function at ambient temperatures to detect CO and SO2. However, for NO2 detection, higher temperatures become imperative due to the necessity for poison removal. The implications of our findings underscore the tremendous potential of Ag-WS2 as a sensing material for detecting these hazardous gases. Our research extends to the broader realm of surface modification of transition metal dichalcogenides and their promising applications in the domain of gas sensing.

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34

Kong, Xianggang, Rongjian Pan, Dmitrii O. Kharchenko, and Lu Wu. "Effect of Hf Dopant on Resistance to CO Toxicity on ZrCo(110) Surface for H Adsorption." Metals 13, no. 12 (December 4, 2023): 1973. http://dx.doi.org/10.3390/met13121973.

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Co-adsorption of multi-components in ZrCo-based hydrogen storage materials can lead to a number of synergistic effects, such as the modification of adsorption sites, and further worsen the hydrogen storage capability. In this work, we explore the co-adsorption of H and CO on the ZrCo(110) surface and find that the molecular CO can be adsorbed on the clean alloy surface and thus decrease the hydrogen storage ability of the alloy. Moreover, CO occupies the adsorption site of H and therefore prevents the adsorption and diffusion into the interior of the lattice. Fortunately, the Hf dopant reduces the number of adsorption sites of the CO molecule and inhibits the formation of carbides to a certain extent. In addition, the partial density of states (PDOS) result shows that there is almost no interaction between the s orbital of H and the s orbital of Co on the pure surface of pre-adsorbed CO, while on the Hf-doped surface of pre-adsorbed CO, the s orbital of H overlapped greatly with the s orbital of Co, indicating that Hf doping inhibits CO toxicity in the interaction between H and the surface. Hence, the doping of Hf has the effect of giving resistance to CO toxicity and is conducive to the adsorption of H.

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35

Kalwar, Basheer Ahmed, Wang Fangzong, Amir Mahmood Soomro, Muhammad Rafique Naich, Muhammad Hammad Saeed, and Irfan Ahmed. "Highly sensitive work function type room temperature gas sensor based on Ti doped hBN monolayer for sensing CO₂, CO, H₂S, HF and NO. A DFT study." RSC Advances 12, no. 53 (2022): 34185–99. http://dx.doi.org/10.1039/d2ra06307g.

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The adsorptions of toxic gas molecules (CO2, CO, H2S, HF and NO) on pristine and Ti atom doped hexagonal boron nitride (hBN) monolayer are investigated by density functional theory. Ti atom doping significantly enhances the adsorption ability.

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36

Fu, Jinzhe, Deshuai Sun, Zhaojun Chen, Jian Zhang, and Hui Du. "First-Principles Investigation of CO Adsorption on h-Fe7C3 Catalyst." Crystals 10, no. 8 (July 23, 2020): 635. http://dx.doi.org/10.3390/cryst10080635.

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h-Fe7C3 is considered as the main active phase of medium-temperature Fe-based Fischer–Tropsch catalysts. Basic theoretical guidance for the design and preparation of Fe-based Fischer–Tropsch catalysts can be obtained by studying the adsorption and activation behavior of CO on h-Fe7C3. In this paper, the first-principles method based on density functional theory is used to study the crystal structure properties of h-Fe7C3 and the adsorption and activation CO on its low Miller index surfaces ( 1 1 ¯ 0 ) , ( 1 1 ¯ 1 ) , ( 101 ) , ( 1 1 ¯ 1 ¯ ) and ( 001 ) . It was found that the low Miller index crystal plane of h-Fe7C3 crystal has multiple equivalent crystal planes and that the maximum adsorption energy of CO at the 3F2 point of the ( 1 1 ¯ 1 ) plane is −2.50 eV, indicating that h-Fe7C3 has a better CO adsorption performance. In addition, the defects generated at the truncated position of the h-Fe7C3 crystal plane have a great impact on the adsorption energy of CO on its surface, that is, the adsorption energy of CO on Fe atoms with C vacancies is higher. The activity of CO after adsorption is greatly affected by the adsorption configuration and less affected by the adsorption energy. The higher the coordination number of Fe atoms after adsorption, the higher the CO activity. At the same time, it was found that the bonding of O and Fe atoms is conducive to the activation of CO.

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37

Awadallah-F, Ahmed, Febrian Hillman, Shaheen A. Al-Muhtaseb, and Hae-Kwon Jeong. "Adsorption of Carbon Dioxide, Methane, and Nitrogen Gases onto ZIF Compounds with Zinc, Cobalt, and Zinc/Cobalt Metal Centers." Journal of Nanomaterials 2019 (December 23, 2019): 1–11. http://dx.doi.org/10.1155/2019/6130152.

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ZIF-8, Co-ZIF-8, and Zn/Co-ZIF-8 are utilized in adsorbing nitrogen (N2), methane (CH4), and carbon dioxide (CO2) gases at temperatures between 25 and 55°C and pressures up to ~1 MPa. Equilibrium adsorption isotherms and adsorption kinetics are studied. The dual-site Langmuir equation is employed to correlate the nonisothermal adsorption equilibrium behavior. Generally, N2 showed the lowest equilibrium adsorption quantity on the three samples, whereas CO2 showed the highest equilibrium adsorption capacity. Amid the ZIF samples, the biggest adsorption quantities of N2 and CH4 were onto Zn/Co-ZIF-8, whereas the highest adsorption quantity of CO2 was on ZIF-8. The isosteric heats of adsorbing these gases on ZIF-8, Co-ZIF-8, and Zn/Co-ZIF-8 were examined. Moreover, the overall mass transfer coefficients of adsorption at different temperatures were investigated.

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38

Jaffri, Shaan Bibi, Khuram Shahzad Ahmad, Mehtabidah Ali, and Shahid Iqbal. "Sorptive Interactions of Fungicidal 2-(4'-Thiazolyl) Benzimidazole with Soils of Divergent Physicochemical Composition." International Journal of Economic and Environmental Geology 10, no. 2 (September 4, 2019): 97–104. http://dx.doi.org/10.46660/ijeeg.vol10.iss2.2019.268.

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Thiabendazole, 2-(4'-thiazolyl) Benzimidazole fungicide is rampantly used in Pakistan for controlling fungalgrowth in addition to combating various fungus driven diseases. Thiabendazole leaching and mobility patterns can beeasily predicted through investigation of Thiabendazole adsorption and desorption behavior in soils. Present work iscarried out by conducting a batch equilibration experiment for evaluation of Thiabendazole adsorption and desorption insoils from four diverse Pakistani climatological regions. Data revealed Thiabendazole had moderate to weak adsorption inselected soils with distribution co-efficient Kd(ads) ranging from 13.33 to 24.04 µg/ml in selected soils. The TBZ adsorptionin soils best fitted with Freundlich model (R2>0.87). The Freundlich adsorption coefficient (Kf(ads)) values ranged from4.51 to 8.90 µg/ml. Thiabendazole adsorption trends in the selected soils were positively influenced by the clay contentand soil organic matter while it was negatively influenced by soils’ pH. The Freundlich desorption coefficient (Kf(des))values spanned over a range of 1.03 to 6.43 µg/ml indicating decreased desorption from soils with creditable affinities forThiabendazole adsorption. The adsorptive interactions between Thiabendazole and selected soils were primarily physicalconfirmed through lower values of Gibbs free energy ∆G ≤ - 40kJ/mol. Thiabendazole desorption was highly hysterical inall soils with profound irreversibility. Thiabendazole possessed medium mobility patterns in selected soils. The loweradsorptive capability of Thiabendazole in selected soils points towards its lower application rates for combating long termenvironmentally perilous implications.

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39

Jaffri, Shaan Bibi, Khuram Shahzad Ahmad, Mehtabidah Ali, and Shahid Iqbal. "Sorptive Interactions of Fungicidal 2-(4'-Thiazolyl) Benzimidazole with Soils of Divergent Physicochemical Composition." International Journal of Economic and Environmental Geology 10, no. 2 (September 4, 2019): 97–104. http://dx.doi.org/10.46660/ojs.v10i2.268.

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Thiabendazole, 2-(4'-thiazolyl) Benzimidazole fungicide is rampantly used in Pakistan for controlling fungalgrowth in addition to combating various fungus driven diseases. Thiabendazole leaching and mobility patterns can beeasily predicted through investigation of Thiabendazole adsorption and desorption behavior in soils. Present work iscarried out by conducting a batch equilibration experiment for evaluation of Thiabendazole adsorption and desorption insoils from four diverse Pakistani climatological regions. Data revealed Thiabendazole had moderate to weak adsorption inselected soils with distribution co-efficient Kd(ads) ranging from 13.33 to 24.04 µg/ml in selected soils. The TBZ adsorptionin soils best fitted with Freundlich model (R2>0.87). The Freundlich adsorption coefficient (Kf(ads)) values ranged from4.51 to 8.90 µg/ml. Thiabendazole adsorption trends in the selected soils were positively influenced by the clay contentand soil organic matter while it was negatively influenced by soils’ pH. The Freundlich desorption coefficient (Kf(des))values spanned over a range of 1.03 to 6.43 µg/ml indicating decreased desorption from soils with creditable affinities forThiabendazole adsorption. The adsorptive interactions between Thiabendazole and selected soils were primarily physicalconfirmed through lower values of Gibbs free energy ∆G ≤ - 40kJ/mol. Thiabendazole desorption was highly hysterical inall soils with profound irreversibility. Thiabendazole possessed medium mobility patterns in selected soils. The loweradsorptive capability of Thiabendazole in selected soils points towards its lower application rates for combating long termenvironmentally perilous implications.

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40

Zhao, Jingyu, Yuhong Qin, Yue Liu, Yunlong Shi, Qiang Lin, Miao Cai, Zhenya Jia, et al. "Cobalt/Iron Bimetallic Biochar Composites for Lead(II) Adsorption: Mechanism and Remediation Performance." Molecules 29, no. 7 (April 3, 2024): 1595. http://dx.doi.org/10.3390/molecules29071595.

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The performance of nano-zero-valent iron for heavy metal remediation can be enhanced via incorporation into bimetallic carbon composites. However, few economical and green approaches are available for preparing bimetallic composite materials. In this study, novel Co/Fe bimetallic biochar composites (BC@Co/Fe-X, where X = 5 or 10 represents the CoCl2 concentration of 0.05 or 0.1 mol L−1) were prepared for the adsorption of Pb2+. The effect of the concentration of cross-linked metal ions on Pb2+ adsorption was investigated, with the composite prepared using 0.05 mol L−1 Co2+ (BC@Co/Fe-5) exhibiting the highest adsorption performance. Various factors, including the adsorption period, Pb2+ concentration, and pH, affected the adsorption of Pb2+ by BC@Co/Fe-5. Further characterisation of BC@Co/Fe-5 before and after Pb2+ adsorption using methods such as X-ray diffraction and X-ray photoelectron spectroscopy suggested that the Pb2+ adsorption mechanism involved (i) Pb2+ reduction to Pb0 by Co/Fe, (ii) Co/Fe corrosion to generate Fe2+ and fix Pb2+ in the form of PbO, and (iii) Pb2+ adsorption by Co/Fe biochar. Notably, BC@Co/Fe-5 exhibited excellent remediation performance in simulated Pb2+-contaminated water and soil with good recyclability.

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41

Alanazi, Abdullah G., Mohamed A. Habila, Zeid A. ALOthman, and Ahmed-Yacine Badjah-Hadj-Ahmed. "Synthesis and Characterization of Zinc Oxide Nanoparticle Anchored Carbon as Hybrid Adsorbent Materials for Effective Heavy Metals Uptake from Wastewater." Crystals 14, no. 5 (May 8, 2024): 447. http://dx.doi.org/10.3390/cryst14050447.

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Hybrid material-derived adsorbents have shown a great applicable efficiency in various fields, including industrial uses and environmental remediation. Herein, zinc oxide nanoparticle modified with carbon (ZnO-C) was fabricated and utilized for wastewater treatment through the adsorption of Zn(II), Cd(II), Co(II), and Mn(II). The surface and structural characteristics were examined using TEM, SEM, XRD, FTIR spectroscopy, EDS, and the BET surface area. Kinetics and equilibrium investigations were applied to optimize the adsorptive removal of Zn(II), Cd(II), Co(II), and Mn(II) onto ZnO-C. The results indicated that the formation of ZnO-C in crystalline sphere-like granules with a nano-size between 16 and 68 nm together with carbon matrix. In addition, the spherical granules of zinc oxide were gathered to form clusters. FTIR spectroscopy indicated that the ZnO-C surface was rich with OH groups and ZnO. The adsorption capacity 215, 213, 206, and 231 mg/g for Zn(II), Cd(II), Co(II), and Mn(II), respectively, at the optimal conditions pH between 5 and 6, a contact time of 180 min, and an adsorbent dose of 0.1 g/L. The adsorptive removal data modeling for the uptake of Zn(II), Cd(II), Co(II), and Mn(II) onto ZnO-C showed agreement with the assumption of the pseudo-second-order kinetic model and the Freundlich isotherm, suggesting a fast adsorption rate and a multilayered mechanism. The achieved adsorption capacity using the prepared ZnO-C was more effective compared to ZnO, carbon, Fe3O4, and Fe3O4-C. Real wastewater samples were applied, including valley water, industrial wastewater, and rain wastewater, and evaluated for the applicable uptake of Zn(II), Cd(II), Co(II), and Mn(II) using ZnO-C and Fe3O4-C with effective removal efficiency.

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42

Sun, Xiang, Yuzheng Guo, Yan Zhao, Sheng Liu, and Hui Li. "Gas Adsorption Investigation on SiGe Monolayer: A First-Principle Calculation." Sensors 20, no. 10 (May 19, 2020): 2879. http://dx.doi.org/10.3390/s20102879.

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The gas adsorption behaviors of CO, CO2, SO2, NO2, NO, NH3, H2, H2O, and O2 on SiGe monolayer are studied using the first-principles calculation method. Three special adsorption sites and different gas molecule orientations are considered. Based on adsorption energy, band gap, charge transfer, and the electron localization function, the appropriate physical adsorptions of SO2, NO, NH3, and O2 are confirmed. These gases possess excellent adsorption properties that demonstrate the obvious sensitiveness of SiGe monolayer to these gases. Moreover, SiGe may be used as a sensing material for some of them. NO2 adsorption in different adsorption sites can be identified as chemical adsorption. Besides, the external electric field can effectively modify the adsorption strength. The range of 0 ~ − 2 V/nm can create a desorption effect when NH3 adsorbs at the Ge site. The NH3 adsorption models on Ge site are chosen to investigate the properties of the I-V curve. Our theoretical results indicate that SiGe monolayer is a promising candidate for gas sensing applications.

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43

Zhao, Zijian, Hui Jiang, Lang Wu, Ning Yu, Zhengwei Luo, and Wenhua Geng. "Preparation of Magnetic Surface Ion-Imprinted Polymer Based on Functionalized Fe3O4 for Fast and Selective Adsorption of Cobalt Ions from Water." Water 14, no. 2 (January 17, 2022): 261. http://dx.doi.org/10.3390/w14020261.

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A novel cobalt ion-imprinted polymer (Co(II)-MIIP) based on magnetic Fe3O4 nanoparticles was prepared by using Co(II) as the template ion, and bis(2-methacryloxyethyl) phosphate and glycylglycine as dual functional monomers. The fabricated material was analyzed by Fourier transform infrared spectroscopy, thermogravimetric analysis, field emission scanning electron microscopy, energy dispersive X-ray spectroscopy, Brunauer–Emmett–Teller, X-ray diffraction, and vibrating sample magnetometer. The adsorption experiments with Co(II)-MIIP, found that the maximum adsorption capacity could reach 33.4 mg·g−1, while that of the non-imprinted polymer (Co(II)-NIP) was found to reach 15.7 mg·g−1. The adsorption equilibriums of Co(II)-MIIP and Co(II)-NIP was established within 20 min and 30 min, respectively. The adsorption process could be suitably described by the Langmuir isotherm model and the pseudo-second-order kinetics model. In binary mixtures of Co(II)/Fe(II), Co(II)/Cu(II), Co(II)/Mg(II), Co(II)/Zn(II), and Co(II)/Ni(II), the relative selectivity coefficients of Co(II)-MIIP toward Co(II)-NIP were 5.25, 4.05, 6.06, 11.81, and 4.48, respectively. The regeneration experiments indicated that through six adsorption–desorption cycles, the adsorption capacity of Co(II)-MIIP remained nearly 90%.

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44

M. Yusof, S., and L. P. Teh. "Bifunctional Materials for CO₂ Adsorption: Short Review." Journal of Chemical Engineering and Industrial Biotechnology 7, no. 2 (November 21, 2021): 15–19. http://dx.doi.org/10.15282/jceib.v7i2.7021.

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In recent years, there has been growing interest in adsorbents with high surface area, high porosity, high stability and high selectivity for CO2 adsorption. By the incorporation of the additive on the supports such as zeolite, silica, and carbon, the physicochemical properties of the adsorbent and CO2 adsorption performance can be enhanced. In this review, we focus on the overview of bifunctional materials (BFMs) for CO2 adsorption. The findings of this study suggests that the high surface area and high porosity of the support provide a good medium for high dispersion and accessibility of additives (amine or metal oxide), enhancing the CO2 adsorption efficiency. The excessive additive however may lead to a decrease of CO2 adsorption performance due to pore blockage and the decrease of active sites for CO2 interactions. The synergistic relationship of the supporting material and additive is significant towards the enhancement of CO2 adsorption.

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45

Evans, Arwyn, Matthew Cummings, Donato Decarolis, Diego Gianolio, Salman Shahid, Gareth Law, Martin Attfield, David Law, and Camille Petit. "Optimisation of Cu+ impregnation of MOF-74 to improve CO/N2 and CO/CO2 separations." RSC Advances 10, no. 9 (2020): 5152–62. http://dx.doi.org/10.1039/c9ra10115b.

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46

Ozensoy, Emrah, and D. Wayne Goodman. "Vibrational spectroscopic studies on CO adsorption, NO adsorption CO + NO reaction on Pd model catalysts." Physical Chemistry Chemical Physics 6, no. 14 (2004): 3765. http://dx.doi.org/10.1039/b402302a.

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47

Kuriyama, T., K. Kunimori, and H. Nozoye. "Adsorption of CO on Sm-modified Ru(001): formation of unusual adsorption states of CO." Applied Surface Science 121-122 (November 1997): 575–78. http://dx.doi.org/10.1016/s0169-4332(97)00370-x.

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48

Bian, Siyao, Shuang Xu, Zhibing Yin, Sen Liu, Jihui Li, Shuying Xu, and Yucang Zhang. "An Efficient Strategy for Enhancing the Adsorption Capabilities of Biochar via Sequential KMnO4-Promoted Oxidative Pyrolysis and H2O2 Oxidation." Sustainability 13, no. 5 (March 2, 2021): 2641. http://dx.doi.org/10.3390/su13052641.

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In this study, sequential KMnO4-promoted oxidative pyrolysis and H2O2 oxidation were employed to upgrade the adsorption capacities of durian shell biochar for methylene blue (MB) and tetracycline (TC) in an aqueous solution. It was found that the KMnO4/H2O2 co-modification was greatly influenced by pyrolysis temperature and the optimal temperature was 300 °C. Moreover, a low concentration of H2O2 enabled the improvement of the adsorption capabilities greatly with the catalysis of pre-impregnated manganese oxides, addressing the shortcoming of single H2O2 modification. The co-modified biochar exhibited high adsorption capabilities for MB and TC, remarkably surpassed KMnO4- and H2O2- modified biochars as well as pristine biochar. The increase of adsorption capabilities could be mainly contributed to the incorporation of MnOx and carboxyl by KMnO4-promoted oxidative decomposition and Mn-catalyzed H2O2 oxidation. This would provide a novel and efficient method for preparing highly adsorptive biochar using sequential KMnO4-promoted oxidative pyrolysis and H2O2 oxidation.

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Habermehl-Ćwirzeń, K., and J. Lahtinen. "Sulfur poisoning of the CO adsorption on Co(0001)." Surface Science 573, no. 2 (December 2004): 183–90. http://dx.doi.org/10.1016/j.susc.2004.09.024.

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50

Hu, Changwei, Yaoqiang Chen, Ping Li, Hong Min, Yu Chen, and Anmin Tian. "Temperature-programmed FT-IR study of the adsorption of CO and co-adsorption of CO and H2 on NiAl2O3." Journal of Molecular Catalysis A: Chemical 110, no. 2 (August 1996): 163–69. http://dx.doi.org/10.1016/1381-1169(96)00044-1.

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