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科研机构
过程工程研究所 [33]
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期刊论文 [33]
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2021 [3]
2020 [7]
2019 [2]
2018 [1]
2017 [2]
2015 [1]
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The relationship between failure mechanism of nickel-rich layered oxide for lithium batteries and the research progress of coping strategies: a review
期刊论文
IONICS, 2021, 页码: 36
作者:
Zhu, Boyuan
;
Yu, Zhihui
;
Meng, Long
;
Xu, Ziyang
;
Lv, Caixia
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2021/08/31
Lithium-ion battery
Nickel-rich layered oxide
Mechanism discussion
Modification strategy
Density functional theory simulation
Nitrile group as IR probe to detect the structure and hydrogen-bond properties of piperidinium/pyrrolidinium based ionic liquids and acetonitrile mixtures
期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2021, 卷号: 322, 页码: 9
作者:
Zheng, Yan-Zhen
;
Zhou, Yu
;
He, Hong-Yan
;
Guo, Rui
;
Chen, Da-Fu
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2021/03/29
Ionic liquids
Acetonitrile
Hydrogen-bond
Density functional theory
Infrared spectroscopy
Excess spectra
Molecular design of dibenzo[g,p]chrysene-based hole-transporting materials for perovskite solar cells: A theoretical study
期刊论文
SYNTHETIC METALS, 2021, 卷号: 271, 页码: 10
作者:
Sun, Zhu-Zhu
;
Feng, Shuai
;
Ding, Wei-Lu
;
Peng, Xing-Liang
;
Guan, Jian
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2021/03/29
Perovskite solar cells
Hole-transporting materials
pi-Conjugation
Fluorene moiety
Density functional theory
Computational Identification of a New Adsorption Site of CO(2)on the Ag (211) Surface
期刊论文
CHEMISTRYSELECT, 2020, 卷号: 5, 期号: 37, 页码: 11503-11509
作者:
Guo, Shuai
;
Li, Yao
;
Liu, Lei
;
Liu, Licheng
;
Zhang, Xiangping
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2021/03/29
Electrocatalysis
CO(2)adsorption
Silver
Density functional theory
Transport properties of Z-shaped phosphorene nanoribbon devices
期刊论文
MODERN PHYSICS LETTERS B, 2020, 卷号: 34, 期号: 22, 页码: 13
作者:
Song, M. R.
;
Shi, H. L.
;
Jiang, Z. T.
;
Ren, Y. H.
;
Han, Q. Z.
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2020/10/30
Density functional theory
transport properties
phosphorene nanoribbons
Density functional theory (DFT) studies of vanadium-titanium based selective catalytic reduction (SCR) catalysts
期刊论文
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:3/0
  |  
提交时间:2020/05/06
Selective catalytic reduction (SCR)
Structure model
Vanadium-titanium based catalyst
Density functional theory (DFT)
Adsorption
N-dependent ozonation efficiency over nitrogen-containing heterocyclic contaminants: A combined density functional theory study on reaction kinetics and degradation pathways
期刊论文
CHEMICAL ENGINEERING JOURNAL, 2020, 卷号: 382, 页码: 10
作者:
Yao, Yujie
;
Xie, Yongbing
;
Zhao, Binran
;
Zhou, Linbi
;
Shi, Yanchun
收藏
  |  
浏览/下载:258/0
  |  
提交时间:2020/03/24
Nitrogen heterocyclic compounds (NHCs)
Ozonation
Density functional theory (DFT)
Reaction mechanism
Degradation pathway
Sr-Doped Cubic In2O3/Rhombohedral In2O3 Homojunction Nanowires for Highly Sensitive and Selective Breath Ethanol Sensing: Experiment and DFT Simulation Studies
期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2020, 卷号: 12, 期号: 1, 页码: 1270-1279
作者:
Song, Longfei
;
Dou, Kunpeng
;
Wang, Rongrong
;
Leng, Ping
;
Luo, Linqu
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2020/03/24
Sr-doped In2O3 nanowires
rhombohedral phase
breath ethanol sensors
high sensitivity and selectivity
density functional theory
Integrated probing the influence of dye acceptor with several electron withdrawing groups for dye-sensitized solar cells
期刊论文
SOLAR ENERGY, 2020, 卷号: 195, 页码: 491-498
作者:
Sun, Zhu-Zhu
;
Feng, Shuai
;
Ding, Wei-Lu
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2020/03/24
Dye-sensitized solar cells
Organic dyes
Electron withdrawing group
Charge transfer
Density functional theory
Probing impacts of pi-conjugation and multiarm on the performance of two-dimensionally expanded small molecule hole-transporting materials: A theoretical investigation
期刊论文
SYNTHETIC METALS, 2020, 卷号: 259, 页码: 10
作者:
Sun, Zhu-Zhu
;
Feng, Shuai
;
Ding, Wei-Lu
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2020/03/24
Perovskite solar cells
Hole-transporting materials
pi-Conjugation
Charge transfer
Density functional theory
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