DICP OpenIR

Browse/Search Results:  1-10 of 152 Help

Selected(0)Clear Items/Page:    Sort:
Going Nano with Confined Effects to Construct Pomegranate-like Cathode for High-Energy and High-Power Lithium-Ion Batteries 期刊论文
ACS APPLIED MATERIALS & INTERFACES, 2019, 卷号: 11, 期号: 32, 页码: 28934-28942
Authors:  Cheng, Yi;  Sang, Hongqian;  Jiang, Qike;  Wang, Haisong;  Zhang, Huamin;  Li, Xianfeng
Favorite  |  View/Download:5/0  |  Submit date:2019/12/02
Li-ion battery  cathode material  pomegranate-like structure  high energy density  high power density  
Why the lowest electronic excitations of rhodamines are overestimated by time-dependent density functional theory 期刊论文
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2018, 卷号: 118, 期号: 23, 页码: 11
Authors:  Zhou, Panwang
Favorite  |  View/Download:11/0  |  Submit date:2019/06/20
ADC(2)  cyanine dyes  rhodamine dyes  TDDFT  XMCQDPT2  
Experimental investigation and theoretical exploration of single-atom electrocatalysis in hybrid photovoltaics: The powerful role of Pt atoms in triiodide reduction 期刊论文
NANO ENERGY, 2017, 卷号: 39, 页码: 1-8
Authors:  Liang, Suxia;  Qiao, Botao;  Song, Xuedan;  Hao, Ce;  Wang, Aiqin;  Zhang, Tao;  Shi, Yantao
Favorite  |  View/Download:56/0  |  Submit date:2017/12/19
Single-atom Electrocatalysis  Photovoltaics  Counter Electrodes  Density Function Theory  
Experimental investigation and theoretical exploration of single-atom electrocatalysis in hybrid photovoltaics: The powerful role of Pt atoms in triiodide reduction 期刊论文
NANO ENERGY, 2017, 卷号: 39, 页码: 1-8
Authors:  Liang, Suxia;  Qiao, Botao;  Song, Xuedan;  Hao, Ce;  Wang, Aiqin;  Zhang, Tao;  Shi, Yantao
Favorite  |  View/Download:49/0  |  Submit date:2017/12/19
Single-atom Electrocatalysis  Photovoltaics  Counter Electrodes  Density Function Theory  
Yin and Yang Dual Characters of CuOx Clusters for C-C Bond Oxidation Driven by Visible Light 期刊论文
ACS CATALYSIS, 2017, 卷号: 7, 页码: 3850-3859
Authors:  Hou, Tingting;  Luo, Nengchao;  Li, Hongji;  Heggen, Marc;  Lu, Jianmin;  Wang, Yehong;  Wang, Feng
Favorite  |  View/Download:35/0  |  Submit date:2017/10/29
Heterogeneous Catalysis  Visible Light  Ceria  Copper  Titania  C-c Bond  Benzaldehyde  
Multiscale Simulations on Spectral Tuning and the Photoisomerization Mechanism in Fluorescent RNA Spinach 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016, 卷号: 12, 期号: 11, 页码: 5453-5464
Authors:  Li, Xin;  Chung, Lung Wa;  Li, Guohui
Favorite  |  View/Download:0/0  |  Submit date:2019/06/20
Photoinduced hydrogen-bonding dynamics 期刊论文
JOURNAL OF MOLECULAR MODELING, 2016, 卷号: 22, 期号: 9
Authors:  Chu, Tian-shu;  Xu, Jinmei
Favorite  |  View/Download:0/0  |  Submit date:2019/06/20
Dft/tddft Calculations  Electronic And Vibrational Dynamics  Femtolaser Spectroscopy Techniques  Photoinduced Hydrogen Bonding Dynamics  Photoinduced Phenomena  
Assessment of Contemporary Theoretical Methods for Bond Dissociation Enthalpies 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 29, 期号: 4, 页码: 453-461
Authors:  Li, Lu;  Fan, Hong-jun;  Hu, Hao-quan
Favorite  |  View/Download:2/0  |  Submit date:2019/06/20
Bond Dissociation Enthalpies  Density Functional Theory  Double-hybrid Density Functional Theory  High-level Composite Methods  
H + H2 quantum dynamics using potential energy surfaces based on the XYG3 type of doubly hybrid density functionals: Validation of the density functionals 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2015, 卷号: 142, 期号: 8, 页码: 084107
Authors:  Su NQ(苏乃强);  Chen J(陈俊);  Sun ZG(孙志刚);  Zhang DH(张东辉);  Xu X(徐昕)
Adobe PDF(5073Kb)  |  Favorite  |  View/Download:63/15  |  Submit date:2015/11/16
Inorganic microporous membranes for H2 and CO2 separation-Review of experimental and modeling progress 期刊论文
CHEMICAL ENGINEERING SCIENCE, 2015, 卷号: 127, 期号: 1, 页码: 401
Authors:  Li H(李慧);  K.Haas-Santo;  U.Schygulla;  R.Dittmeyer
Adobe PDF(5738Kb)  |  Favorite  |  View/Download:53/27  |  Submit date:2015/11/16