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Yu Zhao
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Two-Dimensional Boron Monolayer Sheets
X Wu, J Dai, Y Zhao, Z Zhuo, J Yang, XC Zeng
ACS nano 6 (8), 7443-7453, 2012
7582012
Tunable Magnetism in a Nonmetal-Substituted ZnO Monolayer: A First-Principles Study
H Guo, Y Zhao, N Lu, E Kan, XC Zeng, X Wu, J Yang
The Journal of Physical Chemistry C 116 (20), 11336-11342, 2012
1972012
CO Oxidation on TiO2 (110) Supported Subnanometer Gold Clusters: Size and Shape Effects
L Li, Y Gao, H Li, Y Zhao, Y Pei, Z Chen, XC Zeng
Journal of the American Chemical Society, 2013
1332013
Half-metallicity in hybrid graphene/boron nitride nanoribbons with dihydrogenated edges
Y Liu, X Wu, Y Zhao, XC Zeng, J Yang
The Journal of Physical Chemistry C 115 (19), 9442-9450, 2011
1092011
Oxidation of a two-dimensional hexagonal boron nitride monolayer: a first-principles study
Y Zhao, X Wu, J Yang, XC Zeng
Physical Chemistry Chemical Physics 14 (16), 5545-5550, 2012
992012
Exploration of Structures of Two-Dimensional Boron–Silicon Compounds with sp2 Silicon
J Dai, Y Zhao, X Wu, J Yang, XC Zeng
The Journal of Physical Chemistry Letters 4 (4), 561-567, 2013
752013
A density functional study on cationic AunCum+ clusters and their monocarbonyls
Y Zhao, Z Li, J Yang
Physical Chemistry Chemical Physics 11 (13), 2329-2334, 2009
452009
Organometallic Hexahapto-Functionalized Graphene: Band Gap Engineering with Minute Distortion to the Planar Structure
J Dai, Y Zhao, X Wu, XC Zeng, J Yang
The Journal of Physical Chemistry C 117 (42), 22156-22161, 2013
422013
Ab initio theoretical study of non-covalent adsorption of aromatic molecules on boron nitride nanotubes
Y Zhao, X Wu, J Yang, XC Zeng
Physical Chemistry Chemical Physics 13 (24), 11766-11772, 2011
422011
First-Principles Molecular Dynamics Simulation of Atmospherically Relevant Anion Solvation in Supercooled Water Droplet
Y Zhao, H Li, XC Zeng
Journal of the American Chemical Society 135 (41), 15549-15558, 2013
382013
Interaction between O< sub> 2</sub> and neutral/charged Au< i> n</i>(< i> n</i>= 1-3) Clusters: A comparative study between density-functional theory and coupled cluster …
Y Zhao, NS Khetrapal, H Li, Y Gao, XC Zeng
Chemical Physics Letters, 2013
17*2013
REEXAMINATION OF LOW ENERGY STRUCTURES OF AND Au4
Y Gao, Y Zhao, XC Zeng
Journal of Theoretical and Computational Chemistry 9 (supp01), 1-7, 2010
42010
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Articles 1–12