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Journal articles on the topic 'Atome promoteur'

Author: Grafiati

Published: 4 June 2021

Last updated: 7 February 2022

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1

Ye, Fei, Ya Kun Wang, Fei Fan Xu, and Ke Tong. "Effects of Interstitial Nitrogen Atoms on Atomic Oxygen Adsorption on Fe (001) Surface from Ab Initio Calculations." Materials Science Forum 898 (June 2017): 849–55. http://dx.doi.org/10.4028/www.scientific.net/msf.898.849.

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The effects of interstitial nitrogen atoms on the adsorption of atomic oxygen on fcc Fe (001) surface have been studied using ab initio density functional theory calculations to understand the initial stage of oxidation on nitrogenous austenitic stainless steel. It has been found out that the N atoms can improve the adsorption ability of the O atom at the hollow site on the surface, and thus promote the rapid passivation of nitrogenous austenitic stainless steel. This improvement is possibly because the Coulombic interactions between the O atom and the neighboring Fe and Cr atoms are enhanced

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2

Luo, Mi, Jinyan Cai, Jiasui Zou, Zheng Jiang, Gongming Wang, and Xiongwu Kang. "Promoted alkaline hydrogen evolution by an N-doped Pt–Ru single atom alloy." Journal of Materials Chemistry A 9, no. 26 (2021): 14941–47. http://dx.doi.org/10.1039/d1ta03593b.

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N incorporation induces d orbital tuning and promotes water dissociation on Ru, while single Pt atoms facilitate H desorption. The two effects synergistically enable the excellent alkaline HER performance on an N-doped Pt–Ru single atom alloy.

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3

Cai, Jinmeng, Ang Cao, Zhenbin Wang, et al. "Surface oxygen vacancies promoted Pt redispersion to single-atoms for enhanced photocatalytic hydrogen evolution." Journal of Materials Chemistry A 9, no. 24 (2021): 13890–97. http://dx.doi.org/10.1039/d1ta01400e.

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In situ formed surface oxygen vacancies on TiO<sub>2</sub> can redisperse Pt nanoparticles to stable single-atoms through hydrogen spillover effect. The catalyst displays both high photocatalytic hydrogen evolution performance and atom-utilization efficiency.

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4

Gao, Can, Dewei Rao, Huan Yang, et al. "Dual transition-metal atoms doping: an effective route to promote the ORR and OER activity on MoTe2." New Journal of Chemistry 45, no. 12 (2021): 5589–95. http://dx.doi.org/10.1039/d0nj05606e.

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5

Bennett, Martin A., Nedaossadat Mirzadeh, Steven H. Privér, Jörg Wagler, and Suresh K. Bhargava. "Trinuclear Mixed-valent Gold Complexes Derived from 2-C6F4PPh2: Phosphine Oxide Complexes of Gold(III) and an ortho-Metallated Complex of Gold(I)." Zeitschrift für Naturforschung B 64, no. 11-12 (2009): 1463–68. http://dx.doi.org/10.1515/znb-2009-11-1229.

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Crystals of two mixed-valent gold complexes [(O2NO)AuI(μ-2-C6F4PPh2)AuIII{κ2-2-C6- F4P(O)Ph2}(μ-2-C6F4PPh2)AuI(ONO2)] (14) and [(O2NO)AuI(μ-2-C6F4PPh2)AuIII{κ3-2-C6F4- P(O)Ph(C6H4)}(μ-2-C6F4PPh2)AuI] (15) have been obtained from the reaction of the digold(I,III) complex [ClAuI(μ-2-C6F4PPh2)(κ2-2-C6F4PPh2)AuIIICl] (5) with, respectively, a small and a large excess of silver nitrate. Both complexes contain three, approximately collinear metal atoms, the central gold(III) atom being planar-coordinated by a chelate (O,C)-phosphine oxide formed by oxidation of 2-C6F4PPh2 and the carbon atoms of two

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6

LAURITSEN, J., J. KIBSGAARD, G. OLESEN, et al. "Location and coordination of promoter atoms in Co- and Ni-promoted MoS2-based hydrotreating catalysts." Journal of Catalysis 249, no. 2 (2007): 220–33. http://dx.doi.org/10.1016/j.jcat.2007.04.013.

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7

Bussey, Katherine A., Jennifer R. Connell, Annie R. McGlone та ін. "Crystal structure of {(but-3-en-1-yl)bis[(pyridin-2-yl)methyl]amine-κ3N,N′,N′′}dichloridocopper(II) diethyl ether hemisolvate". Acta Crystallographica Section E Crystallographic Communications 71, № 3 (2015): 309–11. http://dx.doi.org/10.1107/s2056989015003448.

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The five-coordinate CuIIatom in the title complex [CuCl2(C16H19N3)]·0.5C4H10O, adopts a near-ideal square-pyramidal geometry (τ-5 = 0.01). The apical Cu—Cl distance is 0.2626 (6) Å longer than the basal Cu—Cl distance. Weak C—H...Cl interactions between pyridine rings and the Cl atoms of adjacent complex molecules are present. The solvent molecule, located on a twofold rotation axis, is situated in the voids of this arrangement. Copper atoms coordinated by tridentate nitrogen-containing ligands have been found to be excellent promoters of Atom Transfer Radical Addition (ATRA) reactions.

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8

Mehandru, S. P., Alfred B. Anderson, and John C. Angus. "Hydrogen binding and diffusion in diamond." Journal of Materials Research 7, no. 3 (1992): 689–95. http://dx.doi.org/10.1557/jmr.1992.0689.

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We have investigated the binding and diffusion pathways for atomic hydrogen in diamond using the semiempirical atom superposition and electron delocalization molecular orbital (ASED-MO) theory. The bond-centered site has been found to be more stable than the tetrahedral and hexagonal interstitial sites due to the formation of a low-lying band-gap orbital which takes the promoted electron. A second hydrogen binds even more stably to the nearby antibonding site with additional stabilization of the now doubly occupied band gap orbital. The bond-centered hydrogen is predicted to migrate along the

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9

Luo, Zhibo, Zhijie Wang, Jia Li, Kang Yang, and Gang Zhou. "N-Promoted Ru1/TiO2 single-atom catalysts for photocatalytic water splitting for hydrogen production: a density functional theory study." Physical Chemistry Chemical Physics 22, no. 20 (2020): 11392–99. http://dx.doi.org/10.1039/d0cp00929f.

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In our Ru<sub>1</sub>–N<sub>1</sub>/TiO<sub>2</sub> single-atom catalyst system, isolated Ru<sub>1</sub> atoms act as active sites for the reduction of protons, and the TiO<sub>2</sub> support offers the photogenerated carriers, allowing for a hydrogen evolution activity comparable to that of Pd.

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10

Pellissier, Hélène. "The Use of Domino Reactions for the Synthesis of Chiral Rings." Synthesis 52, no. 24 (2020): 3837–54. http://dx.doi.org/10.1055/s-0040-1707905.

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This short review highlights the recent developments reported in the last four years on the asymmetric construction of chiral rings based on enantioselective domino reactions promoted by chiral metal catalysts.1 Introduction2 Formation of One Ring Containing One Nitrogen Atom3 Formation of One Ring Containing One Oxygen/Sulfur Atom4 Formation of One Ring Containing Several Heterocyclic Atoms5 Formation of One Carbon Ring6 Formation of Two Rings7 Conclusion

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11

Mancheno-Posso, Pablo, and Anthony J. Muscat. "Surface Chemistry of GaAs(100) and InAs(100) Etching with Tartaric Acid." Solid State Phenomena 219 (September 2014): 52–55. http://dx.doi.org/10.4028/www.scientific.net/ssp.219.52.

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Incorporating substrates with higher charge mobilities than Si and Ge in metal-oxide-semiconductor field-effect transistors (MOSFETs) would extend the scaling of this device architecture. III-V semiconductors are candidates, and etching and passivation processes are needed that are selective and yield smooth surfaces. The (100) face of III-V compounds contains both electron-deficient group III (Ga, In) atoms and electron-rich group V (P, As, Sb) atoms. Etching InP(100) in a mixture of HCl and H2O2 chlorinates the In (group III) atom forming a soluble product [1,2], yet the P (group V) atom is

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12

Kalek, Marcin, Manoj Ghosh, and Adam Rajkiewicz. "Organocatalytic Group Transfer Reactions with Hypervalent Iodine Reagents." Synthesis 51, no. 02 (2018): 359–70. http://dx.doi.org/10.1055/s-0037-1609639.

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In recent years, a plethora of synthetic methods that employ hypervalent iodine compounds donating an atom or a group of atoms to an acceptor molecule have been developed. Several of these transformations utilize organocatalysis, which complements well the economic and environmental advantages offered by iodine reagents. This short review provides a systematic survey of the organocatalytic approaches that have been used to promote group transfer from hypervalent iodine species. It covers both the reactions in which an organocatalyst is applied to activate the acceptor, as well as those that ex

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13

Zhang, You-Ming, Liang Xian та Tai-Bao Wei. "Chlorobis[N′-ethoxycarbonyl-N-(4-methylphenyl)thiourea-κS]copper(I)". Acta Crystallographica Section C Crystal Structure Communications 59, № 11 (2003): m473—m474. http://dx.doi.org/10.1107/s0108270103022285.

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The title complex, chlorobis{ethyl N-[(4-methylanilino)thiocarbonyl]carbamate-κS}copper(I), [CuCl(C11H14N2O2S)2], was synthesized by the reaction of cupric chloride with the corresponding thiourea derivative. The complex has imposed crystallographic m symmetry and the CuI coordination environment is trigonal planar, formed by two S atoms and one Cl atom. The formation of intramolecular hydrogen bonds promotes the stability of the complex.

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14

Zhu, Zhen Zheng, Richard W. P. White, David J. Smith, and Roger Grice. "Transition state dynamics of F + Br2 reactive scattering." Canadian Journal of Chemistry 72, no. 3 (1994): 523–28. http://dx.doi.org/10.1139/v94-076.

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Reactive scattering of F atoms with Br2 molecules has been studied at an initial translational energy E ∼ 16 kJ mol−1 using a supersonic beam of F atoms seeded in Ne buffer gas. Laboratory angular and velocity distributions of BrF product have been measured. They show sharp peaking in the forward direction with almost isotropic wide angle scattering of relative intensity ∼ 0.2. Approximately half the total available energy is disposed into product translation for scattering in the forward and backward directions with slightly lower translational energy for the sideways scattering. The combinat

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15

HUTTEL, Y., P. SOUKIASSIAN, P. S. MANGAT, and Z. HURYCH. "INITIAL STEPS OF ALKALI-METAL-PROMOTED OXIDATION OF THE Al(111) SURFACE." Surface Review and Letters 02, no. 05 (1995): 549–56. http://dx.doi.org/10.1142/s0218625x95000509.

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We investigate the initial Na-promoted oxidation of an Al surface at room temperature by core-level photoemission spectroscopy using synchrotron radiation. We bring the first evidence that, in the initial state, adsorbed oxygen atoms break the Na-Al bonds. This leads to the formation of an intermediate oxidation state involving both Na and Al sites with oxygen atom in a bridge-type site. This bonding configuration is shown to result from the Na/Al intermixing and appears as a precursor step playing a key role in the observed promoted oxidation. It is also likely to explain the formation, upon

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16

Qin, Ruixuan, Pei Wang, Pengxin Liu, et al. "Carbon Monoxide Promotes the Catalytic Hydrogenation on Metal Cluster Catalysts." Research 2020 (July 17, 2020): 1–9. http://dx.doi.org/10.34133/2020/4172794.

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Size effect plays a crucial role in catalytic hydrogenation. The highly dispersed ultrasmall clusters with a limited number of metal atoms are one candidate of the next generation catalysts that bridge the single-atom metal catalysts and metal nanoparticles. However, for the unfavorable electronic property and their interaction with the substrates, they usually exhibit sluggish activity. Taking advantage of the small size, their catalytic property would be mediated by surface binding species. The combination of metal cluster coordination chemistry brings new opportunity. CO poisoning is notori

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17

Liu, Fei, Mingfang Wu, Juan Pu, and Yuxin Wang. "Structure and growth behavior of intermediate phase in Cu–Zr diffusion couple heated by pulse current." International Journal of Modern Physics B 33, no. 01n03 (2019): 1940004. http://dx.doi.org/10.1142/s0217979219400046.

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In this research, Cu–Zr diffusion couples were heated by pulse current and a conventional heating method, respectively. Comparative analyses on the diffusion behavior of Zr and Cu atoms, interfacial structure and growth behavior of diffusion reaction area were carried out. The results show that applying pulse current can accelerate the migration rate of atoms, promote the diffusion of Zr atoms to the copper substrate in a short holding time, achieve a metallurgical bonding and form a continuous, dense reaction layered structure with a two-layer interface. The pulse current heating can induce t

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18

Palluccio, Taryn, Celeo Colona-Guifarro, and Elena Rybak-Akimova. "Structural Features of Biomimetic Complexes: The Role of Axial Donor Ligands." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C1823. http://dx.doi.org/10.1107/s2053273314081777.

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An ongoing theme in our research group involves the development of biomimetic transition metal complexes that serve to activate small molecules, promote reactions similar to those of metalloenzymes, and provide new synthetic routes to novel ligands. In one instance, we have developed models of iron-containing bleomycin that rely on robust tetradentate aminopyridine macrocyclic (PyMAC) ligands. These simple systems serve as rigid scaffolds that are suitable for coordination of transition metal ions and their success as structural and functional models has led to the design and study of more ela

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19

Shi, Qi, Yongjun Ji, Wenxin Chen, et al. "Single-atom Sn-Zn pairs in CuO catalyst promote dimethyldichlorosilane synthesis." National Science Review 7, no. 3 (2019): 600–608. http://dx.doi.org/10.1093/nsr/nwz196.

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Abstract Single-atom catalysts are of great interest because they can maximize the atom-utilization efficiency and generate unique catalytic properties; however, much attention has been paid to single-site active components, rarely to catalyst promoters. Promoters can significantly affect the activity and selectivity of a catalyst, even at their low concentrations in catalysts. In this work, we designed and synthesized CuO catalysts with atomically dispersed co-promoters of Sn and Zn. When used as the catalyst in the Rochow reaction for the synthesis of dimethyldichlorosilane, this catalyst ex

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20

Gibbs, Gerald V., David F. Cox, and Nancy L. Ross. "The incompressibility of atoms at high pressures." American Mineralogist 105, no. 12 (2020): 1761–68. http://dx.doi.org/10.2138/am-2020-7123.

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Abstract The structures of the silica polymorphs α-quartz and stishovite have been geometry optimized at highly simulated isotropic pressure within the framework of Density Functional Theory. The atoms of the high-pressure polymorph stishovite are virtually incompressible with the bonded radii for Si and O atoms decreasing by only 0.04 and 0.08 Å, respectively, at 100 GPa. In compensating for the increase in the effective interatomic potential associated with the compression of the Si-O bonded interactions, the electron density at the bond critical point between the bonded pair increases from

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21

Yu, Rui, та Yong An Zhang. "DFT and HAADF-STEM Investigations of the Zn Effects on β″ Phase Structure in a Zn Added Al-Mg-Si-Cu Alloy". Materials Science Forum 1026 (квітень 2021): 93–101. http://dx.doi.org/10.4028/www.scientific.net/msf.1026.93.

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First-principles calculations were conducted to investigate the effects of Zn on the structure of β″ phase. The effects of Cu, which was often added in the alloy, were also taken into consideration. Firstly, single Zn or Cu atom was doped on different sites of the β″ phase. Then the formation enthalpies and lattice constants of doped β″ phases were calculated. The results showed that it was more energetically favorable for single Zn or Cu atom to occupy Si3/Al sites than other sites. Furthermore, different quantities of Zn or Cu atoms were doped on Si3/Al sites. With the amounts of doping atom

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22

Laclef, Sylvain, Maria Kolympadi Marković, and Dean Marković. "Amide Synthesis by Transamidation of Primary Carboxamides." Synthesis 52, no. 21 (2020): 3231–42. http://dx.doi.org/10.1055/s-0040-1707133.

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The amide functionality is one of the most important and widely used groups in nature and in medicinal and industrial chemistry. Because of its importance and as the actual synthetic methods suffer from major drawbacks, such as the use of a stoichiometric amount of an activating agent, epimerization and low atom economy, the development of new and efficient amide bond forming reactions is needed. A number of greener and more effective strategies have been studied and developed. The transamidation of primary amides is particularly attractive in terms of atom economy and as ammonia is the single

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23

Freter, Björn. "Democritus on Being and Ought: Some Remarks on the Existential Side of Early Greek Atomism." Akropolis: Journal of Hellenic Studies 2 (December 31, 2018): 67–84. http://dx.doi.org/10.35296/jhs.v2i0.23.

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According to Democritus' anthropogeny is a microcosmic consequence within the process of cosmogony. However, the case of man is a peculiarity: man, this atom complex, is well aware of himself, yet is not aware of what he must do. Man does not naturally do that which promotes the harmonious ordering of his atoms. We must create a second nature. Now it becomes possible for us to be as we must be according to our first nature. Democritus is the is first thinker who explains to us what our nature is and who, from our being, derives an ought: he who wishes to do the right thing for both himself and

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24

Lu, Zhang-Hui, and Qiang Xu. "CO-promoted N2 adsorption on copper atoms." Physical Chemistry Chemical Physics 12, no. 26 (2010): 7077. http://dx.doi.org/10.1039/c000398k.

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25

Zhong, Wenhui, Guozhen Zhang, Yachao Zhang, et al. "Enhanced Activity of C2N-Supported Single Co Atom Catalyst by Single Atom Promoter." Journal of Physical Chemistry Letters 10, no. 22 (2019): 7009–14. http://dx.doi.org/10.1021/acs.jpclett.9b02906.

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26

Wang, Lei, Wu Qin, Xian Bin Xiao, et al. "Effect of Co-Doping on Iron-Based Oxygen Carrier for CO Oxidation in Chemical Looping Combustion." Advanced Materials Research 774-776 (September 2013): 725–28. http://dx.doi.org/10.4028/www.scientific.net/amr.774-776.725.

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This paper focuses on theoretical research of Co-doped Fe-based oxygen carrier for CO oxidation in chemical-looping combustion (CLC) system. Density functional theory (DFT) calculations were carried out to study of interaction between CO molecules and CoO/Fe2O3cluster, it is found that dissociation of O atom through breaking of Fe-O bonds in the Fe2O3system is the key step for CO oxidation reaction, and Low-fold O atoms in Fe2O3system could more readily dissociate from external surface. Moreover, the presence of CoO in Fe2O3could decrease activation energy and reaction energy of CO/Co-Fe2O3sys

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27

Harsha, Kachigere B., Chandagirikoppal V. Kavitha, Toreshettahally R. Swaroop, Shobith Rangappa, and Kanchugarakoppal S. Rangappa. "A Green Synthesis of 1,5-Benzodiazepines using Reusable-Heterogeneous Silica Sulfuric Acid Catalyst under Solvent-Free Conditions and their Antileukemic Activity." Asian Journal of Chemistry 33, no. 5 (2021): 1006–12. http://dx.doi.org/10.14233/ajchem.2021.23103.

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1,5-Benzodiazepine derivatives are readily assembled from o-phenylene diamine and ketones containg α-hydrogen atoms by means of simple cyclocondensation via sp3 C-H activation promoted by an efficient heterogeneous silica sulfuric acid catalyst. Eco-friendliness, good yields, easy workup, reusable catalyst, short reaction times, high atom economy and solvent-free conditions are the noteworthy features of this protocol. These benzodiazepines are chosen for the evaluation of antiproliferative activity against different leukemia cell lines. Among the investigated compounds, 3g is the best antipro

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28

Wang, Wei, Fengxiang Guo, Zhigang Gai, et al. "The Formation of Nanoparticles and Their Competitive Interaction with Twins during Eutectic Si Growth." Materials 11, no. 8 (2018): 1404. http://dx.doi.org/10.3390/ma11081404.

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In order to investigate the competitive interaction between nanoparticles and twin, the eutectic Si microstructures in Al–10Si (wt. %) base alloys with exclusive and combined addition of Sr and Sb are characterized by combined TEM and atom probe tomography (APT). The chemical short range order in Sb–Sb and Sb–Sr pairs is revealed by ab initio molecular dynamics simulation, which promotes the formation of clusters and nanoparticles. The coexistence of nanoparticles and twins is observed in Sb containing alloys, with a negative correlation in the corresponding number density, owing to the compet

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29

Zhu, Rui, Qiang Tao, Min Lian, et al. "Modulating Band Gap of Boron Doping in Amorphous Carbon Nano-Film." Materials 12, no. 11 (2019): 1780. http://dx.doi.org/10.3390/ma12111780.

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Amorphous carbon (a-C) films are attracting considerable attention to due their large optical band gap (Eopt) range of 1–4 eV. But the hopping conducting mechanism of boron doping a-C (a-C:B) is still mysterious. To exploring the intrinsic reasons behind the semiconductor properties of a-C:B, in this work, the boron doping a-C (a-C:B) nano-film was prepared, and the growth rate and Eopt changing were analyzed by controlling the different experimental conditions of magnetron sputtering. A rapid deposition rate of 10.55 nm/min was obtained. The Eopt is reduced from 3.19 eV to 2.78 eV by improvin

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30

Zhang, Yanlu, Caili Zhang, Zhuxia Zhang, et al. "Effects of B on the Segregation Behavior of Mo at the Fe–Cr(111)/Cr2O3(0001) Interface: A First-Principles Study." Metals 10, no. 5 (2020): 577. http://dx.doi.org/10.3390/met10050577.

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The addition of B can inhibit the precipitation of σ phases at the grain boundary to improve the hot workability and corrosion resistance for super austenitic stainless steel with high Cr and Mo content. This study focused on the interaction between B and Mo at the Fe–Cr(111)/Cr2O3(0001) interface and its effect on interfacial adhesion by employing the first-principles method, especially the effect of B on the segregation behavior of Mo. The most stable O-terminated Fe/Cr2O3 interface was chosen as the basic configuration. The segregation energy and the work of separation were calculated for t

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31

Portavoce, Alain, Dominique Mangelinck, Roberto Simola, Rachid Daineche, and Jean Bernardini. "Atom Redistribution during co-Doped Amorphous Silicon Crystallization." Defect and Diffusion Forum 289-292 (April 2009): 329–37. http://dx.doi.org/10.4028/www.scientific.net/ddf.289-292.329.

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Atom redistribution during crystallization of a B and P co-doped amorphous Si layer produced by Si and P chemical vapor co-deposition and B implantation has been investigated. The crystallization of the entire layer is quasi-instantaneous for annealing temperature greater than 650 °C. The crystallization rate is well reproduced by the Avrami-Johnson-Mehl-Kolmogorov model of transformation. The Avrami n is found equal to 4, which is corresponding to 3D bulk crystallization. Crystallization promotes a non-Fickian redistribution of B atoms, allowing for an abrupt interface between B-doped and B-u

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32

Grjol, Blaž, and Marjan Jereb. "Reactivity of substrates with multiple competitive reactive sites toward NBS under neat reaction conditions promoted by visible light." Chemical Papers 75, no. 10 (2021): 5235–48. http://dx.doi.org/10.1007/s11696-021-01711-x.

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AbstractRegioselectivity of visible-light-induced transformations of a range of (hetero)aryl alkyl-substituted ketones bearing several competitive reactive sites (α-carbonyl, benzyl and aromatic ring) with N-bromosuccinimide (NBS) was studied under solvent-free reaction conditions (SFRC) and in the absence of inert-gas atmosphere, radical initiators and catalysts. An 8-W energy-saving household lamp was used for irradiation. Heterogeneous reaction conditions were dealt with throughout the study. All substrates were mono- or dibrominated at the α-carbonyl position, and additionally, some benzyl

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33

Li, Yangfeng, Man Chen, Shuxin Wang, and Manzhou Zhu. "Intramolecular Metal Exchange Reaction Promoted by Thiol Ligands." Nanomaterials 8, no. 12 (2018): 1070. http://dx.doi.org/10.3390/nano8121070.

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The synthesis of an alloy nanocluster that is atomically precise is the key to understanding the metal synergy effect at the atomic level. Using the Ag2Au25(SR)18 nanocluster as a model, we reported a third approach for the metal exchange reaction, that is, intramolecular metal exchange. The surface adsorbed metal ions (i.e., Ag) can be exchanged with the kernel metal atoms (i.e., Au) that are promoted by thiol ligands. The exchanged gold atoms can be further stripped by the thiol ligands, and produce the AgxAu25−x(SR)18− nanocluster.

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34

Singh, Rupesh, Deepak Kunzru, and Sri Sivakumar. "Co-promoted MoO3 nanoclusters for hydrodesulfurization." Catalysis Science & Technology 6, no. 15 (2016): 5949–60. http://dx.doi.org/10.1039/c5cy02221e.

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In this paper, we report the synthesis of ultrasmall Co-promoted MoO<sub>3</sub> nanoclusters (∼2 nm) supported over γ-Al<sub>2</sub>O<sub>3</sub> possessing an increased number of Mo edge atoms, using colloidal synthesis for hydrodesulfurization reaction.

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Fokina, Z. A., V. I. Pekhnyo, S. V. Volkov, V. F. Lapko, Y. V. Bryukhova, and S. I. Kuznetsov. "Cl NQR Spectra of Some New Iridium Chlorochalcogenide Complexes." Zeitschrift für Naturforschung B 48, no. 7 (1993): 986–90. http://dx.doi.org/10.1515/znb-1993-0723.

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The 35C1 NQR spectra of the chlorochalcogenide complexes of iridium (SCl3)2 [IrCl6] 1, (TeCl3)2 [IrCl6] 2, (SeCl3) [IrCl6] 3, [IrCl3(SCl2)2]2 4, (SCl3) [IrCl4(SCl2)2] 5 and [IrCl3(SeCl2)2]2 6 have been studied. The spectra were recorded by pulse spectrometry. They consist of two mul tiplets, widely separated in frequency. The high-frequency multiplet belongs to the chlorine atoms bonded to sulfur, selenium and tellurium, respectively, in the ligand. A high-frequency shift is observed, which is typical for the coordination of the molecules ACl2(A=S, Se) and ACl4(A=S, Se, Te). The low frequencie

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36

Chen, Jian, Chao Li, Jian Zhang, Cong Li, Jianlin Chen, and Yanjie Ren. "First-Principles Study on the Adsorption and Dissociation of Impurities on Copper Current Collector in Electrolyte for Lithium-Ion Batteries." Materials 11, no. 7 (2018): 1256. http://dx.doi.org/10.3390/ma11071256.

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The copper current collector is an important component for lithium-ion batteries and its stability in electrolyte impacts their performance. The decomposition of LiPF6 in the electrolyte of lithium-ion batteries produces the reactive PF6, which reacts with the residual water and generates HF. In this paper, the adsorption and dissociation of H2O, HF, and PF5 on the Cu(111) surface were studied using a first-principles method based on the density functional theory. The stable configurations of HF, H2O, and PF5 adsorbed on Cu(111) and the geometric parameters of the admolecules were confirmed af

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Mero, Christopher L., and Ned A. Porter. "Lewis Acid-Promoted Atom-Transfer Free Radical Additions." Journal of the American Chemical Society 121, no. 22 (1999): 5155–60. http://dx.doi.org/10.1021/ja990477e.

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Tan, Li, Xiaoyu Guo, Xinhua Gao, and Noritatsu Tsubaki. "Designing a Mesoporous Zeolite Catalyst for Products Optimizing in n-Decane Hydrocraking." Catalysts 9, no. 9 (2019): 766. http://dx.doi.org/10.3390/catal9090766.

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Mesoporous ZSM-5 zeolite is developed to enhance the catalytic performance in a hydrocracking reaction. The generated mesopores and mesoporous channels in the new catalyst supply more opportunities for reactant accessing the active sites according to the better mass transfer and diffusion. Meanwhile, the acidity of the mesoporous catalyst is also weakened because of the removal of Si and Al species from its MFI structure, which makes the products distribution drift to more valued chemicals such as olefins. In the modified mesoporous ZSM-5 zeolites via different metallic promoters, the olefins’

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Kim, Yu Kwon, Gregg A. Morgan, and John T. Yates. "Unexpected low-temperature CO dissociation on Ru by Li promoter atoms." Chemical Physics Letters 422, no. 4-6 (2006): 350–53. http://dx.doi.org/10.1016/j.cplett.2006.02.058.

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Ali, Md Ashraf, Shuji Noguchi, Miteki Watanabe, Yasunori Iwao, and Shigeru Itai. "The antitumour drug 7-ethyl-10-hydroxycamptothecin monohydrate and its solid-state hydrolysis mechanism on heating." Acta Crystallographica Section C Structural Chemistry 72, no. 10 (2016): 743–47. http://dx.doi.org/10.1107/s2053229616014492.

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7-Ethyl-10-hydroxycamptothecin [systematic name: (4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, SN-38] is an antitumour drug which exerts activity through the inhibition of topoisomerase I. The crystal structure of SN-38 as the monohydrate, C22H20N2O5·H2O, reveals that it is a monoclinic crystal, with one SN-38 molecule and one water molecule in the asymmetric unit. When the crystal is heated to 473 K, approximately 30% of SN-38 is hydrolyzed at its lactone ring, resulting in the formation of the inactive carboxylate form. The molecular arran

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Xu, Shishuai, Xiang Gao, Amol Deshmukh, et al. "Pressure-promoted irregular CoMoP2 nanoparticles activated by surface reconstruction for oxygen evolution reaction electrocatalysts." Journal of Materials Chemistry A 8, no. 4 (2020): 2001–7. http://dx.doi.org/10.1039/c9ta11775j.

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Rather, Suhail A., Atul Kumar, and Qazi Naveed Ahmed. "Iodine–DMSO-promoted divergent reactivities of arylacetylenes." Chemical Communications 55, no. 31 (2019): 4511–14. http://dx.doi.org/10.1039/c9cc00346k.

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Hua, Juan, Ying Li, Yue-Lin Liu, Ming-Wen Zhao, and Xiang-Dong Liu. "Effect of carbon on behavior of helium in vanadium: A first-principles investigation." International Journal of Modern Physics B 32, no. 01 (2018): 1750269. http://dx.doi.org/10.1142/s0217979217502691.

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By using the first-principles calculations, we studied the effect of carbon (C) on the behaviors of helium (He) in vanadium (V). The results show that C can effectively reduce the solubility of He in bulk V. Compared with defect-free V bulk, the C-vac complex reduces the charge density around it, which makes it act as a trapping center and promotes He nucleation. The maximum number of He atoms trapped by the C-vac complex is five. Furthermore, the interaction between He and the C-vac complex is slightly stronger than that in a C-free vacancy, which indicates that C could increase the trapping

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Davidson, Alisha L., Paul B. Webb, Stewart F. Parker, and David Lennon. "An Inelastic Neutron Scattering Investigation of the Temporal Behaviour of the Hydrocarbonaceous Overlayer of a Prototype Fischer-Tropsch to Olefins Catalyst." Topics in Catalysis 64, no. 9-12 (2021): 631–37. http://dx.doi.org/10.1007/s11244-021-01419-y.

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AbstractA dual sodium and sulfur promoted haematite, representative of a candidate Fischer-Tropsch to olefins (FTO) catalyst, is prepared and contrasted with the performance of an unpromoted hematite sample in the ambient pressure CO hydrogenation reaction at 623 K as a function of time-on-stream (0–24 h). In-situ post-reaction temperature-programmed oxidation measurements show the carbon evolutionary phase of the catalyst conditioning process to be retarded for the FTO catalyst. Ex-situ inelastic neutron scattering measurements show the promoters perturb the formation of a previously describe

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Mongkholkeaw, Sitthichok, Apisit Songsasen, Tanwawan Duangthongyou, et al. "Crystal structure, Hirshfeld surface analysis and computational study of 2-chloro-N-[4-(methylsulfanyl)phenyl]acetamide." Acta Crystallographica Section E Crystallographic Communications 76, no. 4 (2020): 594–98. http://dx.doi.org/10.1107/s2056989020002960.

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In the title compound, C9H10ClNOS, the amide functional group –C(=O)NH– adopts a trans conformation with the four atoms nearly coplanar. This conformation promotes the formation of a C(4) hydrogen-bonded chain propagating along the [010] direction. The central part of the molecule, including the six-membered ring, the S and N atoms, is fairly planar (r.m.s. deviation of 0.014). The terminal methyl group and the C(=O)CH2 group are slightly deviating out-of-plane while the terminal Cl atom is almost in-plane. Hirshfeld surface analysis of the title compound suggests that the most significant con

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Wang, Liqun, Kangqi Shen, Mingyang Chen, and Yan Zhu. "One-core-atom loss in a gold nanocluster promotes hydroamination reaction of alkynes." Nanoscale 11, no. 29 (2019): 13767–72. http://dx.doi.org/10.1039/c9nr04219a.

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Li, Wen-Duo, and Ji-Bao Xia. "1,5-Hydrogen Atom Transfer Promoted Remote C—H Carboxylation." Chinese Journal of Organic Chemistry 40, no. 12 (2020): 4375. http://dx.doi.org/10.6023/cjoc202000087.

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Li, Wen-Duo, and Ji-Bao Xia. "1,5-Hydrogen Atom Transfer Promoted Remote C—H Carboxylation." Chinese Journal of Organic Chemistry 40, no. 12 (2020): 4375. http://dx.doi.org/10.6023/cjoc202000087.

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XU, JING, and MARK SAEYS. "COKING MECHANISM AND PROMOTER DESIGN FOR Ni-BASED CATALYSTS: A FIRST PRINCIPLES STUDY." International Journal of Nanoscience 06, no. 02 (2007): 131–35. http://dx.doi.org/10.1142/s0219581x07004389.

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Based on a first principles study of the interaction of carbon with Ni (111), a new way is proposed to improve the coking resistance of Ni -based catalysts. Three forms of chemisorbed carbon—on-surface carbon atoms, bulk nickel carbide and graphene — are distinguished and their relative stability is studied. At low coverages, on-surface carbon atoms will diffuse to the Ni bulk until saturation at a C:Ni mole fraction of about 1:2. The formation of the carbide will affect the catalytic properties of Ni and might lead to catalyst deactivation. When the on-surface carbon can accumulate to high co

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Gao, Le-Han, Jun-Yao Zhang, Si-Zhe Song, et al. "Base-promoted domino radical cyclization of 1,6-enynes." Organic & Biomolecular Chemistry 17, no. 33 (2019): 7674–78. http://dx.doi.org/10.1039/c9ob01550g.

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