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合肥物质科学研究院 [5]
上海应用物理研究所 [4]
宁波材料技术与工程研... [3]
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期刊论文 [33]
会议论文 [1]
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2018 [34]
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The stability of graphene-based Mobius strip with vacancy and at high-temperature
期刊论文
INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2018, 卷号: 32, 期号: 31, 页码: 9
作者:
Yang, Kaishuai
;
Zhang, Chuanguo
;
Zheng, Xiaohong
;
Wang, Xianlong
;
Zeng, Zhi
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2020/03/31
Graphene-based Mobius strip
mono-vacancy defect
melting temperature
Unusually complex phase of dense nitrogen at extreme conditions
期刊论文
NATURE COMMUNICATIONS, 2018, 卷号: 9, 页码: 6
作者:
Turnbull, Robin
;
Hanfland, Michael
;
Binns, Jack
;
Martinez-Canales, Miguel
;
Frost, Mungo
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  |  
浏览/下载:40/0
  |  
提交时间:2019/01/11
Self-assembly synthesis of boron-doped graphitic carbon nitride hollow tubes for enhanced photocatalytic NOx removal under visible light
期刊论文
Applied Catalysis B: Environmental, 2018, 卷号: 239, 页码: 352-361
作者:
Lee, SC (Lee, Shun Cheng)[ 5 ]
;
Ho, WK (Ho, Wingkei)[ 4 ]
;
Cao, JJ (Cao, Junji)[ 1,2,3 ]
;
Huang, TT (Huang, Tingting)[ 2,3 ]
;
Zhang, YF (Zhang, Yufei)[ 2,3 ]
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  |  
浏览/下载:80/0
  |  
提交时间:2018/11/21
DFT predictions
1D tubular g-C3N4
B-doping
Self-assembly
Photocatalytic NO removal
Self-assembly synthesis of boron-doped graphitic carbon nitride hollow tubes for enhanced photocatalytic NOx removal under visible light
期刊论文
Applied Catalysis B: Environmental, 2018, 卷号: 239, 页码: 352-361
作者:
Wang, ZY (Wang, Zhenyu)[ 1,2 ]
;
Chen, MJ (Chen, Meijuan)[ 1 ]
;
Huang, Y (Huang, Yu)[ 2,3 ]
;
Shi, XJ (Shi, Xianjin)[ 2,3 ]
;
Zhang, YF (Zhang, Yufei)[ 2,3 ]
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  |  
浏览/下载:8/0
  |  
提交时间:2018/11/20
Dft Predictions
1d Tubular G-c3n4
B-doping
Self-assembly
Photocatalytic No Removal
Oxygen reduction kinetic enhancements of intermediate-temperature SOFC cathodes with novel Nd0.5Sr0.5CoO3-delta/Nd0.8Sr1.2CoO4 (+/-) (delta) heterointerfaces
期刊论文
NANO ENERGY, 2018, 卷号: 51, 页码: 711-720
作者:
Zheng, Yun
;
Li, Yifeng
;
Wu, Tong
;
Zhang, Wenqiang
;
Zhu, Jianxin
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  |  
浏览/下载:40/0
  |  
提交时间:2019/06/19
Intermediate-temperature SOFC
Nd0.5Sr0.5CoO3-delta/Nd0.8Sr1.2CoO4 +/-delta
Heterointerface
Sr enrichment
Oxygen vacancy
Valence state of cobalt
Pyrolysis simulations of Fugu coal by large-scale ReaxFF molecular dynamics
期刊论文
FUEL PROCESSING TECHNOLOGY, 2018, 卷号: 178, 页码: 197-205
作者:
Gao, Mingjie
;
Li, Xiaoxia
;
Guo, Li
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  |  
浏览/下载:38/0
  |  
提交时间:2018/10/11
Reaxff Molecular Dynamics
Coal Pyrolysis
Fugu Coal
Reaction Mechanism
Pyrolyzate Yield Prediction
Elevated Temperature Effect
Progress in Research into 2D Graphdiyne-Based Materials
期刊论文
CHEMICAL REVIEWS, 2018, 卷号: 118, 期号: 16, 页码: 7744-7803
作者:
Huang, Changshui
;
Li, Yongjun
;
Wang, Ning
;
Xue, Yurui
;
Zuo, Zicheng
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  |  
浏览/下载:44/0
  |  
提交时间:2018/12/21
Stability and Reactions of CaCO3 Polymorphs in the Earth's Deep Mantle
期刊论文
JOURNAL OF GEOPHYSICAL RESEARCH-SOLID EARTH, 2018, 卷号: 123, 期号: 8, 页码: 6491-6500
作者:
Zhang, Zhigang
;
Mao, Zhu
;
Liu, Xi
;
Zhang, Yigang
;
Brodholt, John
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  |  
浏览/下载:29/0
  |  
提交时间:2018/12/11
CaCO3
polymorphs
first principles
mantle
reactions
temperature
Micro-structure studies of the molten binary K3AlF6-Al2O3 system by in situ high temperature Raman spectroscopy and theoretical simulation
期刊论文
INORGANIC CHEMISTRY FRONTIERS, 2018, 卷号: 5, 期号: 8, 页码: 1861-1868
作者:
Ma, Nan
;
You, Jinglin
;
Lu, Liming
;
Wang, Jian
;
Wang, Min
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  |  
浏览/下载:38/0
  |  
提交时间:2019/12/10
Approach and algorithm for generating appropriate doped structures for high-throughput materials screening
期刊论文
Computational materials science, 2018, 卷号: 150, 页码: 381-389
作者:
Zhang, Mingming
;
Yang, Xiaoyu
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  |  
浏览/下载:28/0
  |  
提交时间:2019/05/09
Inequivalent doped structures
High-throughput screening
First principle simulations
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