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Browsing "Chemistry: Journal/Magazine Articles" by Author jia, yu
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Showing results 1 to 20 of 22
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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
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
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