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Browsing by Author Jia, Yu
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Showing results 8 to 22 of 22
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Title
Author(s)
Issue Date
Views
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
22
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
30
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
16
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
18
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
21
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
16
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
17
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
16
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
17
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
8
Theoretical study of hydration in Y2Mo3O12: Effects on structure and negative thermal expansion
Journal:
AIP Advances
Wu, Ming Yi
Wang, Lei
Jia, Yu
Guo, Zheng Xiao
Sun, Qiang
2015
27
Threadlike tin clusters with high thermal stability based on fundamental units
Journal:
Journal of Physical Chemistry C
Li, Haisheng
Du, Hongbo
Chen, Weiguang
Shan, Q. Q.
Sun, Q.
Guo, Z. X.
Jia, Yu
2012
12
Van der Waals Effects on semiconductor clusters
Journal:
Journal of Computational Chemistry
Li, Haisheng
Chen, Weiguang
Han, Xiaoyu
Li, Liben
Sun, Qiang
Guo, Zhengxiao
Jia, Yu
2015
17