Year |
Citation |
Score |
2023 |
Luo YH, Fu HC, Chen XH, Wang BJ, Yang B, Li NB, Luo HQ. Modulating adsorption energy on nickel nitride-supported ruthenium nanoparticles through in-situ electrochemical activation for urea-assisted alkaline hydrogen production. Journal of Colloid and Interface Science. 652: 1665-1672. PMID 37666198 DOI: 10.1016/j.jcis.2023.08.154 |
0.321 |
|
2021 |
Yang K, Yang B. Addressing the uncertainty of DFT-determined hydrogenation mechanisms over coinage metal surfaces. Faraday Discussions. PMID 33660703 DOI: 10.1039/C9Fd00122K |
0.385 |
|
2021 |
Li J, Liu J, Yang B. Insights into the adsorption/desorption of CO2 and CO on single-atom Fe-nitrogen-graphene catalyst under electrochemical environment Journal of Energy Chemistry. 53: 20-25. DOI: 10.1016/J.Jechem.2020.04.016 |
0.341 |
|
2020 |
Huang W, Liu Q, Zhou Z, Li Y, Ling Y, Wang Y, Tu Y, Wang B, Zhou X, Deng D, Yang B, Yang Y, Liu Z, Bao X, Yang F. Tuning the activities of cuprous oxide nanostructures via the oxide-metal interaction. Nature Communications. 11: 2312. PMID 32385230 DOI: 10.1038/S41467-020-15965-8 |
0.306 |
|
2020 |
Liu H, Liu J, Yang B. Computational insights into the strain effect on the electrocatalytic reduction of CO to CO on Pd surfaces. Physical Chemistry Chemical Physics : Pccp. PMID 32322855 DOI: 10.1039/D0Cp01042A |
0.356 |
|
2020 |
Luo L, Chen S, Xu Q, He Y, Dong Z, Zhang L, Zhu J, Du Y, Yang B, Wang C. Dynamic atom clusters on AuCu nanoparticle surface during CO oxidation. Journal of the American Chemical Society. PMID 32017551 DOI: 10.1021/Jacs.9B13901 |
0.309 |
|
2020 |
Xu D, Wu P, Yang B. Origin of CO2 as the main carbon source in syngas-to-methanol process over Cu: theoretical evidence from a combined DFT and microkinetic modeling study Catalysis Science & Technology. 10: 3346-3352. DOI: 10.1039/D0Cy00602E |
0.342 |
|
2020 |
Chen S, Zaffran J, Yang B. Descriptor Design in the Computational Screening of Ni-Based Catalysts with Balanced Activity and Stability for Dry Reforming of Methane Reaction Acs Catalysis. 10: 3074-3083. DOI: 10.1021/Acscatal.9B04429 |
0.346 |
|
2020 |
Gu T, Wang B, Chen S, Yang B. Automated Generation and Analysis of the Complex Catalytic Reaction Network of Ethanol Synthesis from Syngas on Rh(111) Acs Catalysis. 10: 6346-6355. DOI: 10.1021/Acscatal.0C00630 |
0.316 |
|
2020 |
Ma L, Hu W, Mei B, Liu H, Yuan B, Zang J, Chen T, Zou L, Zou Z, Yang B, Yu Y, Ma J, Jiang Z, Wen K, Yang H. Covalent Triazine Framework Confined Copper Catalysts for Selective Electrochemical CO2 Reduction: Operando Diagnosis of Active Sites Acs Catalysis. 10: 4534-4542. DOI: 10.1021/Acscatal.0C00243 |
0.349 |
|
2020 |
Wu P, Zaffran J, Xu D, Yang B. First-Principles-Based Microkinetic Simulations ofCO 2 Hydrogenation to Methanol over Intermetallic GaPd 2 : Method Development to Include Complex Interactions betweenSurface Adsorbates Journal of Physical Chemistry C. 124: 15977-15987. DOI: 10.1021/Acs.Jpcc.0C03975 |
0.375 |
|
2020 |
Chen S, Zaffran J, Yang B. Dry reforming of methane over the cobalt catalyst: Theoretical insights into the reaction kinetics and mechanism for catalyst deactivation Applied Catalysis B-Environmental. 270: 118859. DOI: 10.1016/J.Apcatb.2020.118859 |
0.355 |
|
2019 |
Yang K, Zaffran J, Yang B. Fast prediction of oxygen reduction reaction activity on carbon nanotubes with a localized geometric descriptor. Physical Chemistry Chemical Physics : Pccp. PMID 31844873 DOI: 10.1039/C9Cp04885E |
0.308 |
|
2019 |
Liu H, Liu J, Yang B. Modeling the effect of surface CO coverage on the electrocatalytic reduction of CO to CO on Pd surfaces. Physical Chemistry Chemical Physics : Pccp. PMID 31033988 DOI: 10.1039/C8Cp07427E |
0.345 |
|
2019 |
Wu P, Yang B. Intermetallic PdIn catalyst for CO2 hydrogenation to methanol: mechanistic studies with a combined DFT and microkinetic modeling method Catalysis Science & Technology. 9: 6102-6113. DOI: 10.1039/C9Cy01242G |
0.375 |
|
2019 |
Wu P, Zaffran J, Yang B. Role of Surface Species Interactions in Identifying the Reaction Mechanism of Methanol Synthesis from CO2 Hydrogenation over Intermetallic PdIn(310) Steps Journal of Physical Chemistry C. 123: 13615-13623. DOI: 10.1021/Acs.Jpcc.9B01847 |
0.405 |
|
2019 |
Xu D, Wu P, Yang B. Essential Role of Water in the Autocatalysis Behavior of Methanol Synthesis from CO2 Hydrogenation on Cu: A Combined DFT and Microkinetic Modeling Study Journal of Physical Chemistry C. 123: 8959-8966. DOI: 10.1021/Acs.Jpcc.8B12460 |
0.309 |
|
2019 |
Cai J, Han Y, Chen S, Crumlin EJ, Yang B, Li Y, Liu Z. CO2 Activation on Ni(111) and Ni(100) Surfaces in the Presence of H2O: An Ambient-Pressure X-ray Photoelectron Spectroscopy Study Journal of Physical Chemistry C. 123: 12176-12182. DOI: 10.1021/Acs.Jpcc.8B11698 |
0.318 |
|
2019 |
Liu X, Liu H, Chen C, Zou L, Li Y, Zhang Q, Yang B, Zou Z, Yang H. Fe 2 N nanoparticles boosting FeN x moieties for highly efficient oxygen reduction reaction in Fe-N-C porous catalyst Nano Research. 12: 1651-1657. DOI: 10.1007/S12274-019-2415-7 |
0.341 |
|
2018 |
Yang K, Yang B. Identification of the Active and Selective Sites over a Single Pt Atom-Alloyed Cu Catalyst for the Hydrogenation of 1,3-Butadiene: A Combined DFT and Microkinetic Modeling Study Journal of Physical Chemistry C. 122: 10883-10891. DOI: 10.1021/Acs.Jpcc.8B01980 |
0.382 |
|
2018 |
Wang P, Yang B. Influence of surface strain on activity and selectivity of Pd-based catalysts for the hydrogenation of acetylene: A DFT study Chinese Journal of Catalysis. 39: 1493-1499. DOI: 10.1016/S1872-2067(18)63081-5 |
0.403 |
|
2018 |
Sharifvaghefi S, Yang B, Zheng Y. New insights on the role of H2S and sulfur vacancies on dibenzothiophene hydrodesulfurization over MoS2 edges Applied Catalysis a-General. 566: 164-173. DOI: 10.1016/J.Apcata.2018.05.033 |
0.348 |
|
2017 |
Yang K, Yang B. Surface restructuring of Cu-based single-atom alloy catalysts under reaction conditions: the essential role of adsorbates. Physical Chemistry Chemical Physics : Pccp. PMID 28665434 DOI: 10.1039/C7Cp02152F |
0.349 |
|
2017 |
Wang K, Yang B. Theoretical understanding on the selectivity of acrolein hydrogenation over silver surfaces: the non-Horiuti–Polanyi mechanism is the key Catalysis Science & Technology. 7: 4024-4033. DOI: 10.1039/C7Cy01500C |
0.371 |
|
2017 |
Yang B, Burch R, Hardacre C, Hu P, Hughes P. Selective hydrogenation of acetylene over Cu(211), Ag(211) and Au(211): Horiuti–Polanyi mechanism vs. non-Horiuti–Polanyi mechanism Catalysis Science & Technology. 7: 1508-1514. DOI: 10.1039/C6Cy02587K |
0.593 |
|
2017 |
Wu P, Yang B. Significance of Surface Formate Coverage on the Reaction Kinetics of Methanol Synthesis from CO2 Hydrogenation over Cu Acs Catalysis. 7: 7187-7195. DOI: 10.1021/Acscatal.7B01910 |
0.399 |
|
2016 |
Wu P, Yang B. Theoretical insights into the promotion effect of subsurface boron for the selective hydrogenation of CO to methanol over Pd catalysts. Physical Chemistry Chemical Physics : Pccp. PMID 27431927 DOI: 10.1039/C6Cp02735K |
0.442 |
|
2016 |
Yang B, Burch R, Hardacre C, Hu P, Hughes P. Importance of surface carbide formation on the activity and selectivity of Pd surfaces in the selective hydrogenation of acetylene Surface Science. 646: 45-49. DOI: 10.1016/J.Susc.2015.07.015 |
0.619 |
|
2015 |
Wang P, Lin X, Yang B, Jin J, Hardacre C, Yu N, Sun S, Lin W. Activity Enhancement of Tetrahexahedral Pd Nanocrystals by Bi Decoration towards Ethanol Electrooxidation in Alkaline Media Electrochimica Acta. 162: 290-299. DOI: 10.1016/J.Electacta.2015.02.177 |
0.524 |
|
2014 |
Yang B, Burch R, Hardacre C, Hu P, Hughes P. Selective Hydrogenation of Acetylene over Pd–Boron Catalysts: A Density Functional Theory Study The Journal of Physical Chemistry C. 118: 3664-3671. DOI: 10.1021/Jp412255A |
0.648 |
|
2014 |
Yang B, Burch R, Hardacre C, Hu P, Hughes P. Mechanistic Study of 1,3-Butadiene Formation in Acetylene Hydrogenation over the Pd-Based Catalysts Using Density Functional Calculations The Journal of Physical Chemistry C. 118: 1560-1567. DOI: 10.1021/Jp408807C |
0.645 |
|
2014 |
Yang B, Burch R, Hardacre C, Headdock G, Hu P. Correction to Understanding the Optimal Adsorption Energies for Catalyst Screening in Heterogeneous Catalysis Acs Catalysis. 4: 943-943. DOI: 10.1021/Cs500044V |
0.591 |
|
2013 |
Yang B, Gong XQ, Wang HF, Cao XM, Rooney JJ, Hu P. Evidence to challenge the universality of the Horiuti-Polanyi mechanism for hydrogenation in heterogeneous catalysis: origin and trend of the preference of a non-Horiuti-Polanyi mechanism. Journal of the American Chemical Society. 135: 15244-50. PMID 24032528 DOI: 10.1021/Ja408314K |
0.527 |
|
2013 |
Wang Z, Yang B, Wang Y, Zhao Y, Cao XM, Hu P. Identifying the trend of reactivity for sp2 materials: an electron delocalization model from first principles calculations. Physical Chemistry Chemical Physics : Pccp. 15: 9498-502. PMID 23685875 DOI: 10.1039/C3Cp51375K |
0.412 |
|
2013 |
Manyar HG, Morgan R, Morgan K, Yang B, Hu P, Szlachetko J, Sá J, Hardacre C. High energy resolution fluorescence detection XANES – an in situ method to study the interaction of adsorbed molecules with metal catalysts in the liquid phase Catalysis Science & Technology. 3: 1497-1500. DOI: 10.1039/C3Cy00031A |
0.59 |
|
2013 |
Yang B, Burch R, Hardacre C, Headdock G, Hu P. Understanding the Optimal Adsorption Energies for Catalyst Screening in Heterogeneous Catalysis Acs Catalysis. 4: 182-186. DOI: 10.1021/Cs400727F |
0.612 |
|
2013 |
Yang B, Burch R, Hardacre C, Headdock G, Hu P. Influence of surface structures, subsurface carbon and hydrogen, and surface alloying on the activity and selectivity of acetylene hydrogenation on Pd surfaces: A density functional theory study Journal of Catalysis. 305: 264-276. DOI: 10.1016/J.Jcat.2013.05.027 |
0.616 |
|
2012 |
Yang B, Cao XM, Gong XQ, Hu P. A density functional theory study of hydrogen dissociation and diffusion at the perimeter sites of Au/TiO2. Physical Chemistry Chemical Physics : Pccp. 14: 3741-5. PMID 22327487 DOI: 10.1039/C2Cp23755E |
0.528 |
|
2012 |
Yang B, Burch R, Hardacre C, Headdock G, Hu P. Origin of the Increase of Activity and Selectivity of Nickel Doped by Au, Ag, and Cu for Acetylene Hydrogenation Acs Catalysis. 2: 1027-1032. DOI: 10.1021/Cs2006789 |
0.615 |
|
2012 |
Manyar HG, Yang B, Daly H, Moor H, McMonagle S, Tao Y, Yadav GD, Goguet A, Hu P, Hardacre C. Selective Hydrogenation of α,β-Unsaturated Aldehydes and Ketones using Novel Manganese Oxide and Platinum Supported on Manganese Oxide Octahedral Molecular Sieves as Catalysts Chemcatchem. 5: 506-512. DOI: 10.1002/Cctc.201200447 |
0.639 |
|
2011 |
Yang B, Wang D, Gong XQ, Hu P. Acrolein hydrogenation on Pt(211) and Au(211) surfaces: a density functional theory study. Physical Chemistry Chemical Physics : Pccp. 13: 21146-52. PMID 22037592 DOI: 10.1039/C1Cp22512J |
0.554 |
|
2011 |
Zhou X, Zhou YP, Huang GR, Gong BL, Yang B, Zhang DX, Hu P, Xu SR. Expression of the stem cell marker, Nanog, in human endometrial adenocarcinoma. International Journal of Gynecological Pathology : Official Journal of the International Society of Gynecological Pathologists. 30: 262-70. PMID 21464727 DOI: 10.1097/PGP.0b013e3182055a1f |
0.313 |
|
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