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Mechanistic insights into NO‒H2 reaction over Pt/boron-doped graphene catalyst Journal article
Journal of Hazardous Materials, 2021,Volume: 406
Authors:  Yao,Zhenhua;  Li,Lei;  Liu,Xuguang;  Hui,Kwun Nam;  Shi,Ling;  Zhou,Furong;  Hu,Maocong;  Hui,K. S.
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2021/03/11
DFT study  Graphene-based catalysis  Kinetic modeling  Langmuir−Hinshelwood dual-site mechanism  NO abatement  
Disclosing the microscopic mechanism and adsorption properties of CO2capture in: N -isopropylethylenediamine appended M2(dobpdc) series Journal article
Physical Chemistry Chemical Physics, 2020,Volume: 22,Issue: 42,Page: 24614-24623
Authors:  Zhang,Hui;  Yang,Li Ming;  Pan,Hui;  Ganz,Eric
Favorite |  | TC[WOS]:5 TC[Scopus]:5 | Submit date:2021/03/09
Atomistic level mechanism of CO2 adsorption in n-ethylethylenediamine-functionalized M2(dobpdc) metal-organic frameworks Journal article
Crystal Growth and Design, 2020,Volume: 20,Issue: 10,Page: 6337-6345
Authors:  Yang,Li Ming;  Zhang,Hui;  Pan,Hui;  Ganz,Eric
Favorite |  | TC[WOS]:5 TC[Scopus]:5 | Submit date:2021/03/09
Unveiling the Origin of Catalytic Sites of Pt Nanoparticles Decorated on Oxygen-Deficient Vanadium-Doped Cobalt Hydroxide Nanosheet for Hybrid Sodium-Air Batteries Journal article
ACS Applied Energy Materials, 2020,Volume: 3,Issue: 8,Page: 7464-7473
Authors:  Kang,Yao;  Wang,Shuo;  Liu,Yanyu;  Hui,Kwan San;  Li,Haifeng;  Ng,Kar Wei;  Liang,Feng;  Geng,Jianxin;  Hong,Xiaoting;  Zhou,Wei;  Hui,Kwun Nam
Favorite |  | TC[WOS]:1 TC[Scopus]:2 | Submit date:2021/03/11
DFT calculation  electrocatalysis  electronic structure reformation  hybrid sodium-air battery  Pt nanoparticles  vanadium-doped cobalt hydroxide  
Structure-reactivity relationship of probes based on the H2S-mediated reductive cleavage of the CC bond Journal article
New Journal of Chemistry, 2020,Volume: 44,Issue: 27,Page: 11667-11677
Authors:  Wang,Chunfei;  Tan,Jingyun;  Zhang,Xuanjun
Favorite |  | TC[WOS]:0 TC[Scopus]:0 | Submit date:2021/03/04
Lithium migration pathways at the composite interface of LiBH4 and two-dimensional MoS2 enabling superior ionic conductivity at room temperature Journal article
Physical Chemistry Chemical Physics, 2020,Volume: 22,Issue: 7,Page: 4096-4105
Authors:  Liu,Zhixiang;  Xiang,Mengyuan;  Zhang,Yao;  Shao,Huaiyu;  Zhu,Yunfeng;  Guo,Xinli;  Li,Liquan;  Wang,Hui;  Liu,Wanqiang
Favorite |  | TC[WOS]:4 TC[Scopus]:3 | Submit date:2021/03/11
X-Ray Diffraction and Theoretical Calculation–Supported Formation of Polymorphic Cocrystals Discovered Through Thermal Methods: A Case Study Journal article
Journal of Pharmaceutical Sciences, 2019,Volume: 108,Issue: 10,Page: 3340-3347
Authors:  Zhou,Zhengzheng;  Calatayud,Mónica;  Contreras-García,Julia;  Li,Liang;  Tong,Henry H.Y.;  Zheng,Ying
Favorite |  | TC[WOS]:6 TC[Scopus]:7 | Submit date:2021/03/01
cocrystal  density functional theory (DFT)  modulated temperature DSC (MTDSC)  polymorphism  salicylic acid  thermal methods  
Carbon Dot-SnS 2 Heterojunction Photocatalyst for Photoreduction of Cr(VI) under Visible Light: A Combined Experimental and First-Principles DFT Study Journal article
Journal of Physical Chemistry C, 2019,Volume: 123,Issue: 4,Page: 2398-2409
Authors:  Han L.;  Zhong Y.-L.;  Lei K.;  Mao D.;  Dong Y.-Z.;  Hong G.;  Zhou Y.-T.;  Fang D.
Favorite |  | TC[WOS]:16 TC[Scopus]:16 | Submit date:2019/04/08
Introduction of benzotriazole into graphene oxide for highly selective coadsorption of An and Ln: Facile synthesis and theoretical study Journal article
CHEMICAL ENGINEERING JOURNAL, 2018,Volume: 344,Page: 594-603
Authors:  Ding, Jie;  Tang, Siqun;  Chen, Xiao;  Ding, Mu;  Kang, Jinyang;  Wu, Rulei;  Fu, Zhihai;  Jin, Yongdong;  Li, Laicai;  Feng, Xiaojie;  Wang, Ruibing;  Xia, Chuanqin
Favorite |  | TC[WOS]:16 TC[Scopus]:16 | Submit date:2018/10/30
Graphene oxide  5-Methylbenzotriazole  Actinides  Lanthanides  Selectivity  Density functional theory  
Introduction of benzotriazole into graphene oxide for highly selective coadsorption of An and Ln: Facile synthesis and theoretical study Journal article
Chemical Engineering Journal, 2018,Volume: 344,Page: 594-603
Authors:  Ding J.;  Tang S.;  Chen X.;  Ding M.;  Kang J.;  Wu R.;  Fu Z.;  Jin Y.;  Li L.;  Feng X.;  Wang R.;  Xia C.
Favorite |  | TC[WOS]:16 TC[Scopus]:16 | Submit date:2018/11/06
5-methylbenzotriazole  Actinides  Density Functional Theory  Graphene Oxide  Lanthanides  Selectivity