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Junqing Yin

Chengdu University

No. 1 Shi Lin Upper Street

Chengdu

China

SCHOLARLY PAPERS

3

DOWNLOADS

68

TOTAL CITATIONS

0

Scholarly Papers (3)

1.

Surface Modification of Fe5c2 by Binding Silica-Based Ligand: A Theoretical Explanation of Enhanced C2 Oxygenate Selectivity

Number of pages: 26 Posted: 27 Mar 2023
Chengdu University, Qilu University of Technology, Qilu University of Technology, Chengdu University, affiliation not provided to SSRN and Chinese Academy of Sciences (CAS) - State Key Laboratory of Nonlinear Mechanics
Downloads 34 (1,263,436)

Abstract:

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Surface modification, Iron carbide, Support-like ligand, Catalytic selectivity, Fischer-Tropsch Synthesis

2.

Theoretical Study on Rh Metal Catalyst In  No-Co Reaction: Significant Surface Dependences of Activity and Selectivity

Number of pages: 52 Posted: 31 Jul 2025
Kyoto University, Chengdu University, Chengdu University and RIKEN Center for Computational Science
Downloads 17 (1,491,251)

Abstract:

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Rh metal catalyst, Facet-dependence, NO-CO reaction, NOx reduction, DFT+D3, Wulff construction, Microkinetics.

3.

Catalysis of Nickel-Based Gold Single-Atom Alloy for No-Co Reaction: Theoretical Insight into Role of Gold Atom in Enhancing Catalytic Activity and Reason

Number of pages: 42 Posted: 26 Dec 2023
Kyoto University, Chengdu University and RIKEN Center for Computational Science
Downloads 17 (1,481,165)

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Ni-Au single-atom alloy, DFT, NO-CO reaction, d-Valence band center, Volcano-plot.