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Yu, Yingzhe, Lu, Junxiu, Zhang, Weiwei, Yang, Kuiwei, Zhang, Minhua (2023) Theoretical insight into the mechanism of CO2 and H2O formation from CO and OH over stepped Ni and Fe/Ni bimetallic surfaces. Applied Surface Science, 615. 156320 doi:10.1016/j.apsusc.2022.156320

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Reference TypeJournal (article/letter/editorial)
TitleTheoretical insight into the mechanism of CO2 and H2O formation from CO and OH over stepped Ni and Fe/Ni bimetallic surfaces
JournalApplied Surface Science
AuthorsYu, YingzheAuthor
Lu, JunxiuAuthor
Zhang, WeiweiAuthor
Yang, KuiweiAuthor
Zhang, MinhuaAuthor
Year2023 (April)Volume615
PublisherElsevier BV
DOIdoi:10.1016/j.apsusc.2022.156320Search in ResearchGate
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Mindat Ref. ID15668840Long-form Identifiermindat:1:5:15668840:8
GUID0
Full ReferenceYu, Yingzhe, Lu, Junxiu, Zhang, Weiwei, Yang, Kuiwei, Zhang, Minhua (2023) Theoretical insight into the mechanism of CO2 and H2O formation from CO and OH over stepped Ni and Fe/Ni bimetallic surfaces. Applied Surface Science, 615. 156320 doi:10.1016/j.apsusc.2022.156320
Plain TextYu, Yingzhe, Lu, Junxiu, Zhang, Weiwei, Yang, Kuiwei, Zhang, Minhua (2023) Theoretical insight into the mechanism of CO2 and H2O formation from CO and OH over stepped Ni and Fe/Ni bimetallic surfaces. Applied Surface Science, 615. 156320 doi:10.1016/j.apsusc.2022.156320
In(2023) Applied Surface Science Vol. 615. Elsevier BV

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Zhang, Minhua, Yang, Kuiwei, Yu, Yingzhe (2015) Insight into carbon formation from ethylene decomposition over Pd(100) via density functional theory calculations. Applied Surface Science, 328. 583-590 doi:10.1016/j.apsusc.2014.12.095
Yang, Kuiwei, Zhang, Minhua, Yu, Yingzhe (2017) Theoretical insights into the effect of terrace width and step edge coverage on CO adsorption and dissociation over stepped Ni surfaces. Physical Chemistry Chemical Physics, 19 (27). 17918-17927 doi:10.1039/c7cp03050a
Yang, Kuiwei, Zhang, Minhua, Yu, Yingzhe (2015) Direct versus hydrogen-assisted CO dissociation over stepped Ni and Ni3Fe surfaces: a computational investigation. Physical Chemistry Chemical Physics, 17 (44). 29616-29627 doi:10.1039/c5cp04335b
Yang, Kuiwei, Zhang, Minhua, Yu, Yingzhe (2017) Effect of transition metal-doped Ni(211) for CO dissociation: Insights from DFT calculations. Applied Surface Science, 399. 255-264 doi:10.1016/j.apsusc.2016.12.073
Yu, Yingzhe, Ji, Peng, Zhang, Weiwei, Yang, Kuiwei, Zhang, Minhua (2023) Theoretical study coupling DFT calculations and kMC simulation of CO methanation on Ni(111) and Ni3Fe(111) New Journal of Chemistry, 47 (38) 17923-17936 doi:10.1039/d3nj03516f
Zhang, Minhua, Chi, Suocheng, Huang, Heyuan, Yu, Yingzhe (2021) Mechanism insight into MnO for CO activation and O removal processes on Co(0001) surface: A DFT and kMC study. Applied Surface Science, 567. 150854pp. doi:10.1016/j.apsusc.2021.150854
Zhang, Minhua, Fu, Zhenzhen, Yu, Yingzhe (2019) Adsorption and decomposition of H2S on the Ni(1 1 1) and Ni(2 1 1) surfaces: A first-principles density functional study. Applied Surface Science, 473. 657-667 doi:10.1016/j.apsusc.2018.12.133
Sun, Xuanyu, Yu, Yingzhe, Zhang, Minhua (2018) Insight into the effect of promoter Co on C2 oxygenate formation from syngas on CoCu(100) and Cu(100): A comparative DFT study. Applied Surface Science, 434. 28-39 doi:10.1016/j.apsusc.2017.10.164
Zhang, Minhua, Yang, Kuiwei, Zhang, Xiaohang, Yu, Yingzhe (2014) Effect of Ni(111) surface alloying by Pt on partial oxidation of methane to syngas: A DFT study. Surface Science, 630. 236-243 doi:10.1016/j.susc.2014.08.023
Chi, Suocheng, Huang, Heyuan, Yu, Yingzhe, Zhang, Minhua (2022) Mechanism insight into MnO for CHx(x = 1 to 3) hydrogenation and C1-C1 coupling processes on Co(0001) surface: A DFT and kMC study. Applied Surface Science, 586. 152840pp. doi:10.1016/j.apsusc.2022.152840
Zhang, Minhua, Yu, Haipeng, Sun, Yuzhe, Yu, Yingzhe, Chen, Yifei, Wang, Lingtao (2022) Theoretical and experimental insights into CO2 formation on Co2C catalysts in syngas conversion to Value-Added chemicals. Applied Surface Science, 602. 154379 doi:10.1016/j.apsusc.2022.154379
 
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