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Title	Author(s)	Issue Date
Atomistic view of thin Ni/Ni<inf>3</inf>Al (0 0 1) under uniaxial tension of twist grain boundaries Journal:RSC Advances	Liu, Chengyan Wang, Fei Yuan, Pengfei Guo, Zhengxiao Yu, Jingui Jia, Yu	2014
Band gap scaling laws in group IV nanotubes Journal:Nanotechnology	Wang, Chongze Fu, Xiaonan Guo, Yangyang Guo, Zhengxiao Xia, Congxin Jia, Yu	2017
Dehydrogenation mechanisms of Ca(NH<inf>2</inf>BH<inf>3</inf>)<inf>2</inf>: The less the charge transfer, the lower the barrier Journal:International Journal of Hydrogen Energy	Yuan, Peng Fei Wang, Fei Sun, Qiang Jia, Yu Guo, Z. X.	2013
Effects of in-plane stiffness and charge transfer on thermal expansion of monolayer transition metal dichalcogenide Journal:Chinese Physics B	Wang, Zhan Yu Zhou, Yan Li Wang, Xue Qing Wang, Fei Sun, Qiang Guo, Zheng Xiao Jia, Yu	2015
First-principles calculations on the role of ni-doping in Cu<inf>n</inf>clusters: From geometric and electronic structures to chemical activities towards CO<inf>2</inf> Journal:Physics Letters, Section A: General, Atomic and Solid State Physics	Han, S. L.Xue, Xinlian Nie, X. C.Zhai, H.Wang, F.Sun, Q.Jia, Yu Li, S. F.Guo, Z. X.	2010
First-principles investigation of negative thermal expansion in II-VI semiconductors Journal:Materials Chemistry and Physics	Wang, Lei Yuan, Peng Fei Wang, Fei Sun, Qiang Guo, Zheng Xiao Liang, Er Jun Jia, Yu	2014
First-principles study of tetragonal PbTiO<inf>3</inf>: Phonon and thermal expansion Journal:Materials Research Bulletin	Wang, Lei Yuan, Pengfei Wang, Fei Liang, Erjun Sun, Qiang Guo, Zhengxiao Jia, Yu	2014
Hcp metal nanoclusters with hexagonal A-A bilayer stacking stabilized by enhanced covalent bonding Journal:Physical Review B (Condensed Matter and Materials Physics)	Li, S. F.Li, Haisheng Xue, Xinlian Jia, Yu Guo, Z. X.Zhang, Zhenyu Gong, X. G.	2010
High inertness of W@Si<inf>12</inf> cluster toward O<inf>2</inf> molecule Journal:Physics Letters, Section A: General, Atomic and Solid State Physics	Li, S. F.Xue, Xinlian Zhai, Hao Nie, Xinchuang Wang, Fei Sun, Q.Jia, Yu Guo, Z. X.Shevlin, S. A.	2012
Interplay between the spin-selection rule and frontier orbital theory in O<inf>2</inf> activation and CO oxidation by single-atom-sized catalysts on TiO<inf>2</inf>(110) Journal:Physical Chemistry Chemical Physics	Li, Shunfang Zhao, Xingju Shi, Jinlei Jia, Yu Guo, Zhengxiao Cho, Jun Hyung Gao, Yanfei Zhang, Zhenyu	2016
Intriguing structures and magic sizes of heavy noble metal nanoclusters around size 55 governed by relativistic effect and covalent bonding Journal:Journal of Chemical Physics	Zhao, X. J.Xue, X. L.Guo, Z. X.Jia, Yu Li, S. F.Zhang, Zhenyu Gao, Y. F.	2015
Intrinsic spin dependent and ferromagnetic stability on edge saturated zigzag graphene-like carbon-nitride nanoribbons Journal:Applied Physics Letters	Zhang, Shuai Li, Chong Li, S. F.Sun, Q.Guo, Z. X.Jia, Yu	2014
Negative thermal expansion correlated with polyhedral movements and distortions in orthorhombic Y<inf>2</inf>Mo<inf>3</inf>O<inf>12</inf> Journal:Materials Research Bulletin	Wang, Lei Wang, Fei Yuan, Peng Fei Sun, Qiang Liang, Er Jun Jia, Yu Guo, Zheng Xiao	2013
Negative thermal expansion in TiF<inf>3</inf> from the first-principles prediction Journal:Physics Letters, Section A: General, Atomic and Solid State Physics	Wang, Lei Yuan, Peng Fei Wang, Fei Sun, Qiang Liang, Er Jun Jia, Yu Guo, Zheng Xiao	2014
Novel Quantitative Contrast Sensitivity Function Enhances the Prediction of Treatment Outcome and Recurrence in Amblyopia Journal:Investigative Ophthalmology & Visual Science	Liu, Jing Huang, Chencui Cotter, Susan A Chan, Lily YL Yu, Yizhou Jia, Yu Ye, Qingqing Feng, Lei Yao, Ying Jiang, Rengang Xiao, Chutong Xu, Zixuan Zhuang, Yijing He, Yunsi Zhou, Yusong Chen, Xiaolan Yuan, Junpeng Wen, Yun Yu, Wentong Pang, Yangfei Lu, Zhong Lin Thompson, Benjamin Li, Jinrong	1-May-2024
Role of Ag-doping in small transition metal clusters from first-principles simulations Journal:Journal of Chemical Physics	Li, S. F.Shao, Zelun Han, Shuli Xue, Xinlian Wang, F.Sun, Q.Jia, Yu Guo, Z. X.	2009
Role of charge transfer in dehydrogenation of M(NH<inf>2</inf>BH<inf>3</inf>)<inf>2</inf> (M = Mg, Sr) Journal:Journal of Physical Chemistry C	Yuan, Peng Fei Sun, Qiang Jia, Yu Guo, Z. X.	2014
Structural and reaction pathway analyses of Mg(BH<inf>4</inf>)<inf>2</inf>·2NH<inf>3</inf> for hydrogen storage: A first-principles study Journal:International Journal of Hydrogen Energy	Yuan, Peng Fei Wang, Fei Sun, Qiang Jia, Yu Guo, Z. X.	2013
Structural, energetic and thermodynamic analyses of Ca(BH<inf>4</inf>)<inf>2</inf>·2NH<inf>3</inf> from first principles calculations Journal:Journal of Solid State Chemistry	Yuan, Peng Fei Wang, Fei Sun, Qiang Jia, Yu Guo, Zheng Xiao	2012
Sub-surface alloying largely influences graphene nucleation and growth over transition metal substrates Journal:Physical Chemistry Chemical Physics	Zhang, Liying Zhao, Xingju Xue, Xinlian Shi, Jinlei Li, Chong Ren, Xiaoyan Niu, Chunyao Jia, Yu Guo, Zhengxiao Li, Shunfang	2015

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