Yonghong Zhang

发表

Theoretical investigation of adsorption and dissociation of H 2 on (ZrO 2) n ( n=16) clusters

Shiping Huang, Shengli Zhang, Rui Jin, 2011 .

Atomic-scale structure of Co-Pt bimetallic nanoparticles: Monte Carlo simulations

Peng Wang, Shiping Huang, Shiping Huang, 2010 .

First-principles study of structural, electronic and vibrational properties of aluminum-doped silica nanotubes

Hui Liu, Shiping Huang, Shengli Zhang, 2010 .

Glass Formation of n-Butanol: Coarse-grained Molecular Dynamics Simulations Using Gay-Berne Potential Model

Shiping Huang, Yonghong Zhang, Guiming Xie, 2012 .

Theoretical investigation of growth, stability, and electronic properties of beaded ZnO nanoclusters

Shiping Huang, Shengli Zhang, Yonghong Zhang, 2011 .

DFT study of structural, electronic and vibrational properties of pure (Al2O3)n (n = 9, 10, 12, 15) and Ni-doped (Al2O3)n (n = 9, 10) clusters

Hui Liu, Shiping Huang, Yonghong Zhang, 2011 .

Theoretical investigation of electronic structure and field emission properties of carbon nanotube–ZnO nanocontacts

Shiping Huang, Yonghong Zhang, Peng Wang, 2011 .

Adsorption of thiophene on transition metal atoms (Co, Ni and Mo) modified Al20O30 clusters: DFT approaches

Shiping Huang, Yonghong Zhang, Peng Wang, 2012 .

Theoretical Investigation of Electronic Properties of Undoped and Ag-Doped (CdTe)16×N Multi-cage Nanochains

Shiping Huang, Yonghong Zhang, Fengyi Suo, 2017, Journal of Cluster Science.

Stability, Infrared Spectra and Electronic Structures of (ZrO2)n(n=3–6) Clusters: DFT Study

Shiping Huang, Rui Jin, Yonghong Zhang, 2011 .

Dehydrogenation properties of La-doped NaAlH4 (001) surface: A first-principle approach

Shiping Huang, Yonghong Zhang, Peng Wang, 2014 .

Theoretical investigation of CO adsorption on TM-doped (MgO)12 (TM = Ni, Pd, Pt) nanotubes

Hui Liu, Shiping Huang, Yonghong Zhang, 2011 .

Effects of nonmetal element (B, C and Si) additives in Mg2Ni hydrogen storage alloy: A first-principles study

Shiping Huang, Shengli Zhang, Yonghong Zhang, 2012 .

Bare and Ni decorated Al12N12 cage for hydrogen storage: A first-principles study

Shiping Huang, Shengli Zhang, Yonghong Zhang, 2012 .

The Adsorption of Ag on (CdTe)13 Core-Cage Nanocluster: A Computational Study

Shiping Huang, Yonghong Zhang, Fengyi Suo, 2016, Journal of Cluster Science.

Mechanistic investigations on the adsorption of thiophene over Zn3NiO4 bimetallic oxide cluster

Peng Wang, Shiping Huang, Shiping Huang, 2012 .

Molecular Dynamics Simulations of Silica Nanotube: Structural and Vibrational Properties Under Different Temperatures

Shiping Huang, Shengli Zhang, Yonghong Zhang, 2010 .

Structural and Electronic Properties of Li2Mg(NH)2 for Hydrogen Storage: First-principles Study

Shiping Huang, Yonghong Zhang, Hua K. Liu, 2010 .

Significant effects of graphite fragments on hydrogen storage performances of LiBH4: A first-principles approach

Shiping Huang, Yonghong Zhang, S. Zhang, 2013 .

Theoretical investigations of sp-sp2 hybridized zero-dimensional fullerenynes.

Shengli Zhang, Shiping Huang, Chunru Wang, 2012, Nanoscale.

First-Principles Study of Field Emission Properties of Graphene-ZnO Nanocomposite

Shiping Huang, Shengli Zhang, Yonghong Zhang, 2010 .

Field-Emission Mechanism of Island-Shaped Graphene–BN Nanocomposite

Shiping Huang, L. Qiao, Yonghong Zhang, 2011 .

First-principles study of cubane-type ZnO: Another ZnO polymorph

Shiping Huang, Shengli Zhang, Yonghong Zhang, 2013 .

Theoretical investigation of assembled (CdTe)12×N (N = 1–5) multi-cage nanochains

Shiping Huang, Yonghong Zhang, S. Zhang, 2013 .