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1.
Tuning the Electronic Structures of Anchor Sites to Achieve Zero-Valence Single-Atom Catalysts for Advanced Hydrogenation.
Angew Chem Int Ed Engl
; : e202406262, 2024 May 24.
Article
in English
| MEDLINE | ID: mdl-38787604
2.
An Efficient Way to Model Complex Iron Carbides: A Benchmark Study of DFTB2 against DFT.
J Phys Chem A
; 127(9): 2071-2080, 2023 Mar 09.
Article
in English
| MEDLINE | ID: mdl-36849363
3.
Tuning the CO2 Hydrogenation Selectivity of Rhodium Single-Atom Catalysts on Zirconium Dioxide with Alkali Ions.
Angew Chem Int Ed Engl
; 62(8): e202218167, 2023 Feb 13.
Article
in English
| MEDLINE | ID: mdl-36573769
4.
Probing Interfacial Electronic Effects on Single-Molecule Adsorption Geometry and Electron Transport at Atomically Flat Surfaces.
Angew Chem Int Ed Engl
; 60(28): 15452-15458, 2021 Jul 05.
Article
in English
| MEDLINE | ID: mdl-33884737
5.
Pinpointing the active sites and reaction mechanism of CO oxidation on NiO.
Phys Chem Chem Phys
; 21(32): 17852-17858, 2019 Aug 15.
Article
in English
| MEDLINE | ID: mdl-31378806
6.
Application of Ag/AgBr/GdVO4 composite photocatalyst in wastewater treatment.
J Environ Sci (China)
; 63: 68-75, 2018 Jan.
Article
in English
| MEDLINE | ID: mdl-29406118
7.
Effects of strong interactions between Ti and ceria on the structures of Ti/CeO2.
Phys Chem Chem Phys
; 18(47): 32494-32502, 2016 Nov 30.
Article
in English
| MEDLINE | ID: mdl-27869271
8.
New application of Z-scheme Ag3PO4/g-C3N4 composite in converting CO2 to fuel.
Environ Sci Technol
; 49(1): 649-56, 2015 Jan 06.
Article
in English
| MEDLINE | ID: mdl-25485763
9.
Choosing a proper exchange-correlation functional for the computational catalysis on surface.
Phys Chem Chem Phys
; 16(34): 18563-9, 2014 Sep 14.
Article
in English
| MEDLINE | ID: mdl-25072632
10.
A DFT study of the structures of Au(x) clusters on a CeO2(111) surface.
Chemphyschem
; 13(5): 1261-71, 2012 Apr 10.
Article
in English
| MEDLINE | ID: mdl-22323361
11.
Synthesis of functionalized 2,3-dihydroisoxazoles by domino reactions in water and unexpected ring-opening reactions of 2,3-dihydroisoxazoles.
Org Biomol Chem
; 10(2): 244-7, 2012 Jan 14.
Article
in English
| MEDLINE | ID: mdl-22021002
12.
Hydrogen fluoride adsorption and reaction on the α-Al2O3(0001) surface: a density functional theory study.
J Chem Phys
; 136(11): 114701, 2012 Mar 21.
Article
in English
| MEDLINE | ID: mdl-22443784
13.
Step Site-Specific Semihydrogenation of Acetylene on the Au Surface.
J Phys Chem Lett
; 13(33): 7667-7672, 2022 Aug 25.
Article
in English
| MEDLINE | ID: mdl-35960022
14.
A combined DFTB nanoreactor and reaction network generator approach for the mechanism of hydrocarbon combustion.
Chem Commun (Camb)
; 57(88): 11633-11636, 2021 Nov 04.
Article
in English
| MEDLINE | ID: mdl-34697614
15.
Oxidative Coupling of Methanol with Molecularly Adsorbed Oxygen on Au Surface to Methyl Formate.
J Phys Chem Lett
; 12(29): 6941-6945, 2021 Jul 29.
Article
in English
| MEDLINE | ID: mdl-34282915
16.
Conductive One-Dimensional Coordination Polymers with Tunable Selectivity for the Oxygen Reduction Reaction.
ACS Appl Mater Interfaces
; 13(44): 52960-52966, 2021 Nov 10.
Article
in English
| MEDLINE | ID: mdl-34705428
17.
The active sites of Cu-ZnO catalysts for water gas shift and CO hydrogenation reactions.
Nat Commun
; 12(1): 4331, 2021 Jul 15.
Article
in English
| MEDLINE | ID: mdl-34267215
18.
A density functional theory study of the CH(2)I(2) reaction on Ag(111): Thermodynamics, kinetics, and electronic structures.
J Chem Phys
; 132(2): 024715, 2010 Jan 14.
Article
in English
| MEDLINE | ID: mdl-20095702
19.
Electronic modulation of composite electrocatalysts derived from layered NiFeMn triple hydroxide nanosheets for boosted overall water splitting.
Nanoscale
; 11(43): 20797-20808, 2019 Nov 21.
Article
in English
| MEDLINE | ID: mdl-31657417
20.
Mechanism of Graphene Formation via Detonation Synthesis: A DFTB Nanoreactor Approach.
J Chem Theory Comput
; 15(6): 3654-3665, 2019 Jun 11.
Article
in English
| MEDLINE | ID: mdl-31117479