You-hua Luo

发表

First-principles investigations of chirality in trimetallic alloy clusters: AlMnAun (n = 1-7).

T. Gu, W. Cao, Jianfei Zhang, 2015, The journal of physical chemistry. A.

Structural growth sequences and electronic properties of gold clusters: Highly symmetric tubelike cages

Y. Lei, Meng Zhang, You-hua Luo, 2009 .

Three-dimensional diffusion of molecular hydrogen in graphdiyne: a first-principles study

X. Zhao, Guihua Li, Hongyu Zhang, 2013 .

Single layer of polymeric cobalt phthalocyanine: promising low-cost and high-activity nanocatalysts for CO oxidation.

Xingfa Gao, Yuliang Zhao, Lina Zhao, 2013, Small.

Ultra-high hydrogen storage capacity of Li-decorated graphyne: A first-principles prediction

Hongyu Zhang, Ming-Wen Zhao, Hongxia Bu, 2012 .

A theoretical study of neutral and anionic Au5Al clusters

Y. Lei, You-hua Luo, Li-xia Zhao, 2009 .

Interaction of CO with PalladiumClusters Pdn (n=1-8)

Q. Jing, G. Ge, You-hua Luo, 2009 .

First-principles prediction of a new planar hydrocarbon material: half-hydrogenated 14,14,14-graphyne.

Hongyu Zhang, Meng Zhang, You-hua Luo, 2016, Physical chemistry chemical physics : PCCP.

A computational investigation of boron-doped chromium and chromium clusters by density functional theory

Q. Jing, G. Ge, You-hua Luo, 2010 .

Density functional theory study on the structural and electronic properties of Ag-adsorbed (MgO)n clusters

Q. Jing, G. Ge, You-hua Luo, 2009 .

Dependence between transport properties of gas phase C60 at low density and interfullerene interaction

Guang-hou Wang, You-hua Luo, Shunzuo Qiu, 1999 .

Theoretical prediction of structural and magnetic properties of small rhenium boride clusters RemBnRemBn (m=1–3m=1–3, n=1–3mn=1–3m)

Y. Lei, You-hua Luo, Li-xia Zhao, 2008 .

Geometries and electronic properties of NamSin(m+n⩽7)NamSin(m+n⩽7) clusters

Lingju Guo, Xia Liu, Gao Zhao, 2008 .

Unraveling Special Structures and Properties of Gold-Covered Gold-Core Cage on Au33-42 Nanoparticles.

Hong-yu Zhang, Meng Zhang, You-hua Luo, 2015, The journal of physical chemistry. A.

Theoretical Study of Hydrogen Adsorption on Ruthenium Clusters

Q. Jing, G. Ge, You-hua Luo, 2011 .

Probing the magnetic and structural properties of the 3d, 4d, 5d impurities encapsulated in an icosahedral Ag12 cage

Li-ming He, Lina Zhao, X. Gu, 2010 .

First-Principles Investigation of Trimetallic Clusters: GaMnLin (n = 1–12)

Hongyu Zhang, Jianfei Zhang, Meng Zhang, 2017, Journal of Cluster Science.

Magnetic superatoms in VLi(n) (n = 1-13) clusters: a first-principles prediction.

W. Cao, Hongyu Zhang, Jianfei Zhang, 2013, The journal of physical chemistry. A.

Structural and electronic properties of LuSin (n = 1–12) clusters: A density functional theory investigation

Y. Lei, You-hua Luo, Li-xia Zhao, 2009 .

Graphdiyne: A promising anode material for lithium ion batteries with high capacity and rate capability

Meng Zhang, Yueyuan Xia, Mingwen Zhao, 2013 .

Structural Growth Sequences and Electronic Properties of Lanthanum-Doped-Gold Clusters

Meng Zhang, You-hua Luo, Li-xia Zhao, 2010 .

First‐principles studies of lithium adsorption and diffusion on silicene with grain boundaries

M. Huttula, Meng Zhang, You-hua Luo, 2019, International Journal of Quantum Chemistry.

Strain enhanced lithium adsorption and diffusion on silicene.

W. Cao, Meng Zhang, You-hua Luo, 2017, Physical chemistry chemical physics : PCCP.

Geometry, electronic structure, and magnetism of clusters

Guanghou Wang, Houqian Sun, Yun Ren, 2001 .

Tight-binding study of structural and electronic properties of silver clusters

Jijun Zhao, Jijun Zhao, You-Hua Luo, 2001 .

Structural, electronic, and magnetic properties of small vanadium clusters

Jijun Zhao, Guanghou Wang, Jijun Zhao, 1999 .

Genetic-algorithm prediction of the magic-number structure of (C 60 ) N clusters with a first-principles interaction potential

Jijun Zhao, Guanghou Wang, Jijun Zhao, 1999 .

Is Free Cyclooctatetraene Dianion an Aromatic System? A Quantum Chemistry Study

Liming He, Jiagao Cheng, Xiuhua Yan, 2009 .

A density functional study of YnAl (n=1-14) clusters.

Jun Zhang, Q. Jing, Yuanxu Wang, 2007, The Journal of chemical physics.

Structural, electronic, and magnetic properties of MB{sub n} (M=Cr,Mn,Fe,Co,Ni, n{<=}7) clusters

Q. Jing, Lingju Guo, Xia Liu, 2007 .

Magnetic MoS2 pizzas and sandwiches with Mnn (n = 1–4) cluster toppings and fillings: A first-principles investigation

Hongyu Zhang, Meng Zhang, Xiao Wang, 2016, Scientific Reports.

Structural stability and electronic properties of small gold clusters induced by 3p electron atoms

Hongyu Zhang, Su-bin Yang, Meng Zhang, 2013, European Physical Journal D : Atomic, Molecular and Optical Physics.

Low-energy isomer identification, structural evolution, and magnetic properties in manganese-doped gold clusters MnAu(n) (n = 1-16).

Lina Zhao, Hongyu Zhang, Meng Zhang, 2012, The journal of physical chemistry. A.

High stability of the goldalloy fullerenes: A density functional theory investigation of M 12 @Au 20 ( M = Na, Al, Ag, Sc, Y, La, Lu, and Au) clusters

Hong-yu Zhang, Meng Zhang, You-hua Luo, 2012 .

Geometric structures and dipole moments of Pbn (n = 13–18) clusters from ab initio quantum-chemical calculations

Y. Lei, Meng Zhang, You-hua Luo, 2010 .

Carbon-tuned bonding method significantly enhanced the hydrogen storage of BN-Li complexes.

Yuliang Zhao, Lina Zhao, Q. Deng, 2011, Nanoscale.

Introducing magnetism into 2D nonmagnetic inorganic layered crystals : a brief review from first-principles aspects

M. Huttula, W. Cao, Xinying Shi, 2018 .

First-principles study of monolayer MoS2 with deficient and excessive Mon and Sn (n = −3 → 3) clusters on 5 × 5 supercells

W. Cao, Li-ming He, Meng Zhang, 2016 .

Prediction of the lowest-energy structures of rare-earth metallic clusters with a Möbius inversion pair potential

Yu-zhu Wang, You-hua Luo, 2001 .

Structural and electronic properties of Ren (${\sf n} \leq$ 8) clusters by density-functional theory

Y. Lei, You-hua Luo, Li-xia Zhao, 2008 .

A theoretical study of structures and chemical bonding of mixed clusters X3Y3H6 (X = B, Al, Ga, In Y = N, P, As, Sb)

Hongyu Zhang, Meng Zhang, You-hua Luo, 2014 .

A density functional theory study of the Au7Hn (n = 1–10) clusters

W. Cao, Li-ming He, Meng Zhang, 2009 .

Stuffed Cage Structures and Properties of Neutral and Charged Au38 Nanocluster

Hongyu Zhang, Wen-li Zhang, Meng Zhang, 2013, Journal of Cluster Science.

Exploring stability of 32-atom gold–silver mixed clusters

Wen-li Zhang, Q. Deng, Meng Zhang, 2011 .

Evolution of lithium clusters to superatomic Li3O

M. Huttula, W. Cao, Xinying Shi, 2017 .

Structure and stability of Al-doped boron clusters by the density-functional theory.

You-hua Luo, Xiaojuan Feng, 2007, The journal of physical chemistry. A.

Flexible band gap tuning of hexagonal boron nitride sheets interconnected by acetylenic bonds.

Hongyu Zhang, Meng Zhang, You-hua Luo, 2015, Physical chemistry chemical physics : PCCP.

Ferromagnetism/antiferromagnetism transition between semihydrogenated and fully-aminated single-wall carbon nanotubes.

Yuliang Zhao, Lina Zhao, L. Jing, 2011, Nanoscale.

Transition Metal Adsorbed-Doped ZnO Monolayer: 2D Dilute Magnetic Semiconductor, Magnetic Mechanism, and Beyond 2D

M. Huttula, W. Cao, Xinying Shi, 2017, ACS omega.

Computational investigation of TiSin (n=2-15) clusters by the density-functional theory.

Lingju Guo, Xia Liu, Gao Zhao, 2007, The Journal of chemical physics.

Tuning Magnetic Moments by 3d Transition-Metal-Doped Au6 Clusters

Li-ming He, Meng Zhang, You-hua Luo, 2009 .

Structures of Nanoalloy Clusters AunAln (n = 1–10) and the Growth Patterns to the Bulk Phase

W. Cao, Yansun Yao, Meng Zhang, 2016 .

Tunable Hydrogen Separation in sp–sp2 Hybridized Carbon Membranes: A First-Principles Prediction

Hongyu Zhang, Xiu-Jie He, Meng Zhang, 2012 .