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金属研究所 [3]
长春光学精密机械与物... [3]
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期刊论文 [11]
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Reaction Pathways of the Selective Catalytic Reduction of NO with NH3 on the alpha-Fe2O3(012) Surface: a Combined Experimental and DFT Study
期刊论文
OAI收割
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2021, 卷号: 55, 期号: 16, 页码: 10967-10974
作者:
Gao, Meng
;
He, Guangzhi
;
Zhang, Wenshuo
;
Du, Jinpeng
;
He, Hong
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2021/12/23
NH3-SCR
reaction mechanism
Fe2O3-based catalysts
DFT calculation
in situ DRIFTS
Adsorption and dissociation of water on halogen pre-adsorbed Ni(111) and Ni-Cr(111) surfaces: A DFT study
期刊论文
OAI收割
SOLID STATE COMMUNICATIONS, 2020, 卷号: 321, 页码: 5
作者:
Yin, Xiaoran
;
Sun, Xianfeng
;
Wang, Haitao
;
Han, En-Hou
  |  
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2021/02/02
Nickel-based alloy
Halogen
Surface properties
DFT
Adsorption and dissociation of water on halogen pre-adsorbed Ni(111) and Ni-Cr(111) surfaces: A DFT study
期刊论文
OAI收割
SOLID STATE COMMUNICATIONS, 2020, 卷号: 321, 页码: 5
作者:
Yin, Xiaoran
;
Sun, Xianfeng
;
Wang, Haitao
;
Han, En-Hou
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2021/02/02
Nickel-based alloy
Halogen
Surface properties
DFT
Structure and interaction properties of MBIL [Bmim][FeCl4] and methanol: A combined FTIR and simulation study
期刊论文
OAI收割
JOURNAL OF MOLECULAR LIQUIDS, 2020, 卷号: 309, 页码: 10
作者:
Zhang, Yaqin
;
Zhang, Tian
;
Huo, Feng
;
Wang, Yanlei
;
Li, Xuehui
  |  
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2020/09/22
Metal-based ionic liquid
Excess infrared
Hydrogen-bonding interaction
DFT
MD
Density functional theory (DFT) studies of vanadium-titanium based selective catalytic reduction (SCR) catalysts
期刊论文
OAI收割
JOURNAL OF ENVIRONMENTAL SCIENCES, 2020, 卷号: 90, 页码: 119-137
作者:
Zhao, Ziwei
;
Li, Erwei
;
Qin, Yu
;
Liu, Xiaolong
;
Zou, Yang
  |  
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2020/05/06
Selective catalytic reduction (SCR)
Structure model
Vanadium-titanium based catalyst
Density functional theory (DFT)
Adsorption
Mechanism of Glucose-Fructose Isomerization over Aluminum Based Catalysts in Methanol Media
期刊论文
OAI收割
ACS SUSTAINABLE CHEMISTRY & ENGINEERING, 2019, 卷号: 7, 期号: 17, 页码: 14962-14972
作者:
Ju, Zhaoyang
;
Zhang, Yuxuan
;
Zhao, Tingting
;
Xiao, Weihua
;
Yao, Xiaoqian
  |  
收藏
  |  
浏览/下载:115/0
  |  
提交时间:2019/11/12
Glucose
Fructose
Aluminum-based catalysts
DFT
Isomerization
Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials
期刊论文
OAI收割
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS, 2018, 卷号: 74, 页码: 705-711
作者:
Cheng, Shi-Bo
;
Huang, Jin-Dou
;
Zhao, Jinfeng
;
Yu, Kun
;
Huang, Xiaohua
  |  
收藏
  |  
浏览/下载:45/0
  |  
提交时间:2019/06/20
indeno[1,2-b] fluorene-6,12-dione-based molecules
intrinsic hole mobility
intrinsic electron mobility
electronic spectra
density functional theory (DFT)
structure-function relationship
Theoretical study of charge-transport and optical properties of indeno[1,2-b] fluorene-6,12-dione-based semiconducting materials
期刊论文
iSwitch采集
Acta crystallographica section b-structural science crystal engineering and materials, 2018, 卷号: 74, 页码: 705-711
作者:
Huang, Jin-Dou
;
Zhao, Jinfeng
;
Yu, Kun
;
Huang, Xiaohua
;
Cheng, Shi-Bo
收藏
  |  
浏览/下载:69/0
  |  
提交时间:2019/05/08
Indeno[1,2-b] fluorene-6,12-dione-based molecules
Intrinsic hole mobility
Intrinsic electron mobility
Electronic spectra
Density functional theory (dft)
Structure-function relationship
Superposed Redox Chemistry of Fused Carbon Rings in Cyclooctatetraene-Based Organic Molecules for High-Voltage and High-Capacity Cathodes
期刊论文
OAI收割
ACS APPLIED MATERIALS & INTERFACES, 2018, 卷号: 10, 期号: 3, 页码: 2496, 2503
作者:
Zhao, Xiaolin
;
Qiu, Wujie
;
Ma, Chao
;
Zhao, Yingqin
;
Wang, Kaixue
  |  
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2018/12/28
DFT
COT-based molecules
high-voltage
aromatization
double bond reformation
Na+-ion battery
Improved TOPS about direction of arrival estimation for wideband signals (EI CONFERENCE)
会议论文
OAI收割
2011 International Conference on Vibration, Structural Engineering and Measurement, ICVSEM2011, October 21, 2011 - October 23, 2011, Shanghai, China
作者:
He B.
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2013/03/25
The study about the direction-of-arrival (DOA) estimation for wideband signals is a basic topic of Signal Processing. The method called test of orthogonality of projected subspaces (TOPS) does not require initial values to form focusing matrix compared with the coherent signal subspace method (CSSM)
but it has poor performance for coherent wideband signals at low signal-to-noise ratio (SNR). Based on the lack of the conventional TOPS
this paper reconstructs a set of new matrices with the narrowband correlated matrices coming from the DFT decomposition of the array output and modifies the method frame of the conventional TOPS. So we get a set of reconstructed matrices with full rank corresponding to each frequency bin
and which have no array aperture loss. The improved TOPS can estimate the DOA for coherent wideband sources at low SNR
and enhances the performance of the conventional TOPS. Simulation results show that the improved TOPS is effective
and the total performance of which is similar to the rotational signal-subspace (RSS) method. (2012) Trans Tech Publications.