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Combining descriptor-based analyses and mean-field modeling of the electrochemical interface to comprehend trends of catalytic processes at the solid/liquid interface
《Journal of Energy Chemistry》2023年第10期288-290,I0009,共4页Kai S.Exner 
funding by the Ministry of Culture and Science of the Federal State of North Rhine-Westphalia(NRW Return Grant);funded by the CRC/TRR247:“Heterogeneous Oxidation Catalysis in the Liquid Phase”(Project number 388390466-TRR 247);the RESOLV Cluster of Excellence,funded by the Deutsche Forschungsgemeinschaft under Germany’s Excellence Strategy–EXC 2033–390677874–RESOLV;the Center for Nanointegration(CENIDE);supported by COST(European Cooperation in Science and Technology)。
Electrocatalysis is undergoing a renaissance due to its central importance for a sustainable energy economy,relying on green(electro-)chemical processes to harvest,convert,and store energy.Theoretical considerations b...
关键词：ELECTROCATALYSIS Volcano plot Descriptor approach Electrochemical interface Mean-field model 
Identifying the Zn-Co binary as a robust bifunctional electrocatalyst in oxygen reduction and evolution reactions via shifting the apexes of the volcano plot被引量：2
《Journal of Energy Chemistry》2021年第4期162-168,共7页Jing Wang Rui Xu Yuling Sun Qian Liu Meirong Xia Yan Li Faming Gao Yufeng Zhao John S.Tse 
the National Natural Science Foundation of China(No.21403185 and 51774251);the Hebei Natural Science Foundation for Distinguished Young Scholars(B2017203313);the Hundred Excellent Innovative Talents Support Program in Hebei Province(SLRC2017057)for financial support。
The performance of an electrocatalyst is closely correlated with the binding strength of key oxygencontaining intermediates,i.e.,*OOH,*O and*OH,in the oxygen reduction reaction(ORR)and oxygen evolution reaction(OER).F...
关键词：Single-atom catalyst Oxygen reduction Electrocatalysis DFT Reaction volcano 
Ni(OH)_2-Ni/C for hydrogen oxidation reaction in alkaline media被引量：2
《Journal of Energy Chemistry》2019年第2期111-115,共5页Yangxin Pan Gaohe Hu Juntao Lu Li Xiao Lin Zhuang 
supported by the National Natural Science Foundation of China (21573167,21633008,91545205);the Innovative Research Team in Wuhan University (2042017kf0232);the National Key Research and Development Program (2016YFB0101203);the Fundamental Research Funds for the Central Universities (2014203020207)
The development of the hydrogen electrode is vital for the application of alkaline polymer electrolyte fuel cells(APEFCs).In this study,a series of Ni(OH)_2 decorated Ni/C catalysts(Ni(OH)_2-Ni/C) were prepared by a t...
关键词：Hydrogen oxidation reaction FUEL CELLS ALKALINE polymer electrolyte FUEL CELLS Nickel VOLCANO PLOT 
Theoretical design and experimental synthesis of counter electrode for dye-sensitized solar cells: Amino-functionalized graphene
《Journal of Energy Chemistry》2016年第5期861-867,共7页Yiyi Jia Yantao Shi Jieshan Qiu Ce Hao 
Financial support provided by the National Natural Science Foundation of China (Grant No. 51402036, 21373042);International Science & Technology Cooperation Program of China (Grant No. 2013DFA51000);the Fundamental Research Funds for the Central Universities (Grant No. DUT15YQ109);supported by the State Key Laboratory of Fine Chemicals of China
For some specific catalytic reaction, how to construct active sites on two dimensional materials is of great scientific significance. Dye-sensitized solar cells（DSCs） can be viewed as one representative photovoltaic...
关键词：Dye-sensitized solar cell Counter electrode Density functional theory Volcanic plot Amio-functionalized graphene 
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