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科研机构
大连理工大学 [25]
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期刊论文 [25]
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2019 [2]
2018 [7]
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专题:大连理工大学
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0D/2D AgInS2/MXene Z-scheme heterojunction nanosheets for improved ammonia photosynthesis of N-2
期刊论文
NANO ENERGY, 2019, 卷号: 61, 页码: 27-35
作者:
Qin, Jiangzhou
;
Hu, Xia
;
Li, Xinyong
;
Yin, Zhifan
;
Liu, Baojun
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2019/12/02
AgInS2/MXene heterojunction
Photocatalysis
N-2 reduction
DFT calculations
Conformational turn triggers regio-selectivity in the bioactivation of thiophene-contained compounds mediated by cytochrome P450
期刊论文
JOURNAL OF BIOLOGICAL INORGANIC CHEMISTRY, 2019, 卷号: 24, 页码: 1023-1033
作者:
Ai, Chun-Zhi
;
Liu, Yong
;
Chen, Du-Chu
;
Saeed, Yasmeen
;
Jiang, Yi-Zhou
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/02
DFT calculations
Cytochrome P450
Self-controlled regio-selectivity
Bioactivation mechanism
Thiophene-contained compound
Medium-sized (n = 14–20) clusters: a combined study of photoelectron spectroscopy and DFT calculations
期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2018, 卷号: 30, 页码: 354002-
作者:
Zhao JJ(赵纪军)
;
Chen MD(陈茂笃)
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/12/02
Highly oriented SnS2/RGO/Ag heterostructures for boosting photoeletrochemical and photocatalytic performances via schottky and RGO-n dual-heterojunctions interfacial effects
期刊论文
APPLIED CATALYSIS A-GENERAL, 2018, 卷号: 563, 页码: 118-126
作者:
Zhang, Mingmei
;
Li, Xinyong
;
Fan, Shiying
;
Zeng, Libin
;
Yin, Zhifan
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2019/12/02
SRA nanocomposites
Multiple junctions
Spatial charge carriers separation
DFT quantum calculations
Medium-sized Si-n(-) (n=14-20) clusters: a combined study of photoelectron spectroscopy and DFT calculations
期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2018, 卷号: 30
作者:
Wu, Xue
;
Liang, Xiaoqing
;
Du, Qiuying
;
Zhao, Jijun
;
Chen, Maodu
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/02
silicon clusters
photoelectron spectra
density functional theory
basis sets
Monolayered semiconducting GeAsSe and SnSbTe with ultrahigh hole mobility
期刊论文
FRONTIERS OF PHYSICS, 2018, 卷号: 13
作者:
Guo, Yu
;
Gao, Nan
;
Bai, Yizhen
;
Zhao, Jijun
;
Zeng, Xiao Cheng
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/02
2D GeAsSe and SnSbTe
carrier mobility
photocatalysts
DFT calculations
Mapping Al Distributions in SSZ-13 Zeolites from Na-23 Solid-State NMR Spectroscopy and DFT Calculations
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2018, 卷号: 122, 页码: 9973-9979
作者:
Zhao, Zhenchao
;
Xing, Youdong
;
Li, Shihan
;
Meng, Xiangju
;
Xiao, Feng-shou
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/02
Superhierarchical Cobalt-Embedded Nitrogen-Doped Porous Carbon Nanosheets as Two-in-One Hosts for High-Performance Lithium-Sulfur Batteries
期刊论文
ADVANCED MATERIALS, 2018, 卷号: 30, 页码: e1706895
作者:
Liu, Shaohong
;
Li, Jia
;
Yan, Xue
;
Su, Quanfei
;
Lu, Yuheng
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2019/12/02
carbon nanosheets
DFT calculations
lithium metal anodes
lithium-sulfur batteries
sulfur hosts
Unveiling chain-chain interactions in CO2-based crystalline stereocomplexed polycarbonates by solid-state NMR spectroscopy and DFT calculations
期刊论文
JOURNAL OF ENERGY CHEMISTRY, 2018, 卷号: 27, 页码: 361-366
作者:
Zhao, Zhenchao
;
Ren, Pengju
;
Liu, Ye
;
Zhao, Kangbo
;
Lu, Xiao-Bing
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2019/12/02
Stereocomplexed polycarbonates
Crystalline carbonate polymers
Stacking interaction
Solid-state NMR
DFT
Elucidating ozonation mechanisms of organic micropollutants based on DFT calculations: Taking sulfamethoxazole as a case
期刊论文
ENVIRONMENTAL POLLUTION, 2017, 卷号: 220, 页码: 971-980
作者:
Zhang, Siyu
;
Yu, Gang
;
Chen, Jingwen
;
Zhao, Qing
;
Zhang, Xuejiao
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/02
Ozonation mechanism
Organic micropollutant
Sulfamethoxazole
Density functional theory
Gibbs free energy
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