Browsing by Author Jia, Yu

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Showing results 15 to 22 of 22 < previous 
TitleAuthor(s)Issue DateViews
 
Role of Ag-doping in small transition metal clusters from first-principles simulations
Journal:Journal of Chemical Physics
Li, S. F.Shao, ZelunHan, ShuliXue, XinlianWang, F.Sun, Q.Jia, YuGuo, 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 FeiSun, QiangJia, YuGuo, 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 FeiWang, FeiSun, QiangJia, YuGuo, 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 FeiWang, FeiSun, QiangJia, YuGuo, Zheng Xiao
2012
17
 
Sub-surface alloying largely influences graphene nucleation and growth over transition metal substrates
Journal:Physical Chemistry Chemical Physics
Zhang, LiyingZhao, XingjuXue, XinlianShi, JinleiLi, ChongRen, XiaoyanNiu, ChunyaoJia, YuGuo, ZhengxiaoLi, Shunfang
2015
10
 
Theoretical study of hydration in Y2Mo3O12: Effects on structure and negative thermal expansion
Journal:AIP Advances
Wu, Ming YiWang, LeiJia, YuGuo, Zheng XiaoSun, Qiang
2015
27
 
Threadlike tin clusters with high thermal stability based on fundamental units
Journal:Journal of Physical Chemistry C
Li, HaishengDu, HongboChen, WeiguangShan, Q. Q.Sun, Q.Guo, Z. X.Jia, Yu
2012
12
 
Van der Waals Effects on semiconductor clusters
Journal:Journal of Computational Chemistry
Li, HaishengChen, WeiguangHan, XiaoyuLi, LibenSun, QiangGuo, ZhengxiaoJia, Yu
2015
17
Showing results 15 to 22 of 22 < previous