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Changes in the three-dimensional molecular structure of coal during methane adsorption induced swelling
期刊论文
PROCESS SAFETY AND ENVIRONMENTAL PROTECTION, 2023, 卷号: 180, 页码: 56-66
作者:
Shen, Zhen
;
Liu, Yu
;
Lei, Junhuan
;
Shen WJ(沈伟军)
;
Wang, Yuheng
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  |  
浏览/下载:10/0
  |  
提交时间:2023/12/11
Methane adsorption
Chemical structure
Chemical bond
Coal macromolecular structure
Atomic origin of magnetic coupling of antiphase boundaries in magnetite thin films
期刊论文
JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY, 2022, 卷号: 107, 页码: 92-99
作者:
Gao, Chunyang
;
Jiang, Yixiao
;
Yao, Tingting
;
Tao, Ang
;
Yan, Xuexi
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  |  
浏览/下载:25/0
  |  
提交时间:2022/07/01
Fe3O4
Transmission electron microscopy
Antiphase boundary
Magnetic coupling
First-principles calculations
Interstitial doping of K and Mn induced structural distortion and electronic properties changes in all-inorganic CsPbI2Br perovskite
期刊论文
Materials Research Express, 2022, 卷号: 9, 期号: 4
作者:
Xue, Hong-Tao
;
Hu, Zhong-Lin
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  |  
浏览/下载:30/0
  |  
提交时间:2022/06/20
Binary alloys
Bromine compounds
Calculations
Electronic properties
Lead compounds
Manganese
Photovoltaic effects
Structural properties
CsPbI2br perovskite
First principle calculations
Inorganics
Interstitial doping
Interstitials
K-doping
Mn-doping
Octahedral interstices
Property changes
Structural distortions
Effect of surface cleaning on interface bonding performance for 316H stainless steel joints manufactured by additive forging
期刊论文
MATERIALS & DESIGN, 2021, 卷号: 210, 页码: 16
作者:
Zhao, Yong
;
Jin, Zhuji
;
Xu, Bin
;
Wang, Qinqiang
;
Feng, Jian
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  |  
浏览/下载:31/0
  |  
提交时间:2021/11/22
Surface cleaning
Cleanliness characterization
Interface bonding performance
Additive forging
High performance manufacturing
Geometric structure of N2O q+ (q=5, 6) studied by Ne8+ion-induced Coulomb explosion imaging*
期刊论文
CHINESE PHYSICS B, 2021, 卷号: 30, 期号: 11, 页码: 9
作者:
Zhao, Xi
;
Shan, Xu
;
Zhu, Xiaolong
;
Chen, Lei
;
Shen, Zhenjie
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  |  
浏览/下载:34/0
  |  
提交时间:2022/01/07
Coulomb explosion
kinetic energy release
molecular geometry
ion collision
nitrous oxide (N2O)
Study on the emitter infiltration of needle-capillary ionic liquid electrospray thruster
期刊论文
AIP ADVANCES, 2021, 卷号: 11, 期号: 3, 页码: 20
作者:
Xue WS(薛文森)
;
Duan L(段俐)
;
Kang Q(康琦)
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浏览/下载:24/0
  |  
提交时间:2021/04/19
离子液体与多硫化物作用机制的分子动力学模拟研究
学位论文
: 中国科学院大学, 2020
作者:
胡天媛
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浏览/下载:26/0
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提交时间:2021/09/07
锂硫电池,多硫化物,离子液体,分子动力学模拟,作用机制
Investigation of the intramolecular hydrogen bonding interactions and excited state proton transfer mechanism for both Br-BTN and CN-BTN systems
期刊论文
RSC ADVANCES, 2019, 卷号: 9, 期号: 40, 页码: 23004-23011
作者:
Yang, Dapeng
;
Zhang, Qiaoli
;
Song, Xiaoyan
;
Zhang, Tianjie
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  |  
浏览/下载:56/0
  |  
提交时间:2019/12/02
Theoretical insights into excited-state process for the novel 2,3-bis[(4-diethylamino-2-hydroxybenzylidene)amino]but-2-enedinitrile system
期刊论文
JOURNAL OF THE CHINESE CHEMICAL SOCIETY, 2019, 页码: 8
作者:
Xu, Lei
;
Zhang, Tianjie
;
Yang, Dapeng
;
Zhang, Qiaoli
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  |  
浏览/下载:55/0
  |  
提交时间:2019/12/02
charge redistribution
ESDPT
intramolecular hydrogen bonds
IR vibrational spectra
potential energy curves
A TD-DFT investigation of the photo-induced excited state intramolecular proton transfer dynamics for the novel 5,5 '-(9,9-dihexyl-9H-fluorene-2,7-diyl)bis(2-benzo[d]thiazol-2-yl)phenol) system
期刊论文
JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 页码: 7
作者:
Yang, Dapeng
;
Song, Xiaoyan
;
Zhang, Tianjie
;
Gao, Haiyan
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  |  
浏览/下载:55/0
  |  
提交时间:2019/12/02
charge density difference
dual hydrogen bonds
electronic densities
infrared vibrational spectra
potential energy surfaces
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