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期刊论文 [26]
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2018 [26]
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Methanol to Olefins Reaction over Cavity-type Zeolite: Cavity Controls the Critical Intermediates and Product Selectivity
期刊论文
ACS CATALYSIS, 2018, 卷号: 8, 期号: 12, 页码: 10950-10963
作者:
Zhi, Yuchun
;
Wei, Yingxu
;
Deng, Feng
;
Zhang, Wenna
;
Chen, Jingrun
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浏览/下载:79/0
  |  
提交时间:2019/06/20
methanol to olefins
H-RUB-SO
critical intermediates
product selectivity
host guest interaction
cavity-control
Methanol to Olefins Reaction over Cavity-type Zeolite: Cavity Controls the Critical Intermediates and Product Selectivity
期刊论文
ACS CATALYSIS, 2018, 卷号: 8, 期号: 12, 页码: 10950-10963
作者:
Liu, Zhongmin
;
Deng, Feng
;
Xiao, Fengshou
;
Meng, Xiangju
;
Wu, Xinqiang
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浏览/下载:79/0
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提交时间:2019/06/24
methanol to olefins
H-RUB-SO
critical intermediates
product selectivity
host guest interaction
cavity-control
Atomistic simulation study on the shear behavior of Ag/MgO interface
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 155, 页码: 116-128
作者:
Fu X Q
;
Liang LH(梁立红)
;
Wei YG(魏悦广)
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  |  
浏览/下载:67/0
  |  
提交时间:2018/12/12
Metal/oxide interface
Interface stress
Interface shear displacement
Misfit dislocation
Atomistic simulation
Methanol to olefins reaction over cavity-type zeolite: cavity controls the critical intermediates and product selectivity
期刊论文
Acs catalysis, 2018, 卷号: 8, 期号: 12, 页码: 10950-10963
作者:
Zhang, Wenna
;
Chen, Jingrun
;
Xu, Shutao
;
Chu, Yueying
;
Wei, Yingxu
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  |  
浏览/下载:89/0
  |  
提交时间:2019/05/08
Methanol to olefins
H-rub-so
Critical intermediates
Product selectivity
Host guest interaction
Cavity-control
Strain tunable ionic transport properties and electrochemical window of Li10GeP2S12 superionic conductor
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 153, 页码: 170-175
作者:
Chen, Bingbing
;
Ju, Jiangwei
;
Ma, Jun
;
Du, Huiping
;
Xiao, Ruijuan
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浏览/下载:58/0
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提交时间:2018/12/21
Strain
Ionic transport
Solid electrolyte
First principles
All-solid-state lithium batteries
Structure and Metallicity of Phase V of Hydrogen
期刊论文
PHYSICAL REVIEW LETTERS, 2018, 卷号: 120, 期号: 25, 页码: 7
作者:
Monserrat, Bartomeu
;
Drummond, Neil D.
;
Dalladay-Simpson, Philip
;
Howie, Ross T.
;
Rios, Pablo Lopez
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浏览/下载:24/0
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提交时间:2019/11/12
On the abnormal fast diffusion of solute atoms in alpha-Ti: A first-principles investigation
期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2018, 卷号: 740, 页码: 156-166
作者:
Zhang, LJ
;
Chen, ZY
;
Hu, QM
;
Yang, R
;
Hu, QM (reprint author), Chinese Acad Sci, Inst Met Res, Shenyang Natl Lab Mat Sci, 72 Wenhua Rd, Shenyang 110016, Liaoning, Peoples R China.
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浏览/下载:44/0
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提交时间:2018/06/05
Grain-boundary Segregation
Austenitic Stainless-steel
Total-energy Calculations
Augmented-wave Method
Elastic Band Method
Alloying Elements
Self-diffusion
Impurity Diffusion
1st Principles
Saddle-points
Atomic mechanical properties of structure and diffusion in the MoO3 anode materials during lithiation
期刊论文
COMPUTATIONAL MATERIALS SCIENCE, 2018, 卷号: 145, 页码: 8-13
作者:
Hu, Ruiqin
;
Liu, Tong
;
Chen, Bingbing
;
Cai, Rui
;
Zhou, Jianqiu
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浏览/下载:27/0
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提交时间:2018/09/06
Lithium Ion Battery
Moo3 Anode
First Principles
Diffusion
The Impact of Iron Adsorption on the Electronic and Photocatalytic Properties of the Zinc Oxide (0001) Surface: A First-Principles Study
期刊论文
MATERIALS, 2018, 卷号: 11, 期号: 3, 页码: 14
作者:
Cheng, Jingsi
;
Wang, Ping
;
Hua, Chao
;
Yang, Yintang
;
Zhang, Zhiyong
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  |  
浏览/下载:32/0
  |  
提交时间:2018/07/17
Zno (0001) Surface
First-principles
Iron
Optical Properties
Photocatalytic
First-principles study of the atomic and electronic properties of (100) stacking faults in BaSnO3 crystal
期刊论文
CHEMICAL PHYSICS LETTERS, 2018, 卷号: 694, 页码: 65-69
作者:
Xue, YB
;
Wang, WY
;
Guo, Y
;
Guo, Y (reprint author), Anyang Inst Technol, Dept Chem & Environm Engn, Anyang 455000, Peoples R China.
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浏览/下载:40/0
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提交时间:2018/06/05
Total-energy Calculations
Augmented-wave Method
Doped Basno3
Ab-initio
Barium Stannate
1st Principles
Thin-films
Basis-set
Perovskite
Ceramics
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