DIATOMIC

作品数：56被引量：85H指数：5
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相关领域：理学更多>>
相关作者：赵磊吕航徐海峰更多>>
相关机构：东北电力大学吉林大学更多>>
相关期刊：《Communications in Theoretical Physics》《Chinese Physics B》《Applied Mathematics and Mechanics(English Edition)》《Journal of Applied Mathematics and Physics》更多>>
相关基金：国家自然科学基金国家重点基础研究发展计划中国博士后科学基金山东省自然科学基金更多>>
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P-tuned FeN_(2)binuclear sites for boosted CO_(2)electro-reduction
《Journal of Energy Chemistry》2025年第2期816-824,I0018,共10页Cao Guo Sanshuang Gao Jun Li Menglin Zhou Abdukader Abdukayum Qingquan Kong Yingtang Zhou Guangzhi Hu 
financially supported by the National Natural Science Foundation of China-Yunnan Joint Fund(U2002213);Science and Technology Talent and Platform Program of Yunnan Provincial Science and Technology Department(202305AM070001);the Xingdian Talent Program of Yunnan Province;the Double-First Class University Plan(C176220100042).
The recycling of CO_(2)through electrochemical processes offers a promising solution for alleviating the greenhouse effect;however,the activation of CO_(2)and desorption of^(*)CO in electrocatalytic CO_(2)reduction(EC...
关键词：Electrocatalysis Diatomic catalyst Heteroatom doping CO_(2)reduction reaction DFT calculation 
A Comprehensive Descriptor for Understanding High-Shell Heteroatom-Tuned Oxygen Reduction Reaction Activity on Diatomic FeCoN_(6)Sites被引量：1
《Renewables》2024年第4期242-249,共8页Xinyi Li Dongxu Jiao Xiao Zhao 
supported by the Jilin Province Science and Technology Development Project(Grant Numbers:YDZJ202401329ZYTS);the Fundamental Research Funds for the Central Universities.
Diatomic catalysts as a class of emerging non-noble oxygen reduction reaction(ORR)catalysts show superior activity over their single-atom counterparts.However,the strategies to further enhance their performance remain...
关键词：oxygen reduction reaction dual-atom catalysts density functional theory machine learning comprehensive descriptors 
Recent process in developing advanced heterogeneous diatomic-site metal catalysts for electrochemical CO_(2)reduction被引量：1
《Chinese Chemical Letters》2024年第7期4-13,共10页Xueyang Zhao Bangwei Deng Hongtao Xie Yizhao Li Qingqing Ye Fan Dong 
supported by“Pioneer”and“Leading Goose”R&D Program of Zhejiang(No.2023C03017);National Natural Science Foundation of China(Nos.22225606,22261142663,and 22176029);China Postdoctoral Science Foundation(No.2023M730491);Natural Science Foundation of Huzhou City(No.2022YZ22)。
Diatomic-site catalysts(DASCs)have emerged as a kind of promising heterogeneous candidate catalysts for electrochemical CO_(2)reduction(ECR),which is considered to retain the advantage of single-atom catalysts(SACs)bu...
关键词：Diatomic-site metal catalyst Electrochemical CO_(2)reduction Classification CO_(2)activation Synergistic effects 
Diatomic Pd catalyst with conjugated backbone for synergistic electrochemical CO_(2)reduction
《Nano Research》2024年第6期4850-4855,共6页Wenxuan Zhang Mengran Zhang Hongjuan Wang Wen Zhang Min Zhang 
the National Natural Science Foundation of China(No.22275139);Natural Science Foundation of Tianjin(No.22JCZDJC00510).
Double-site catalysts have attracted widespread attention in the field of electrocatalysis due to their high metal loading,adjustable active centres,and electronic valence states.However,the development of bimetallic ...
关键词：synthesis electrocatalysis CO_(2)reduction bimetallic palladium complex synergistic catalysis 
Diatomic Fe-Co catalysts synergistically catalyze oxygen evolution reaction被引量：3
《Nano Research》2024年第5期3794-3800,共7页Tianmi Tang Jingyi Han Zhenlu Wang Xiaodi Niu Jingqi Guan 
supported by the National Natural Science Foundation of China(No.22075099);the Natural Science Foundation of Jilin Province(No.20220101051JC);the Education Department of Jilin Province(No.JJKH20220968CY);the Graduate Innovation Fund of Jilin University(No.2023CX036).
The design of diatomic catalysts with uniformly dispersed metal atoms is expected to improve catalytic performance,which is conducive to the intensive comprehending of the synergistic mechanism between dual-metal site...
关键词：oxygen evolution reaction diatomic catalyst FeN_(3)-CoN_(3) X-ray absorption spectroscopy(XAS)spectrum theoretical calculation 
Theoretical investigation of excited dipole bound states of alkali-containing diatomic anions
《Chinese Physics B》2024年第5期389-393,共5页连艺 肖利丹 边丽丽 徐海峰 闫冰 
Project supported by the National Natural Science Foundation of China(Grant Nos.12274178 and 12174148);Support of High Performance Computing Center of Jilin University;the high-performance computing cluster Tiger@IAMP。
Information about electronic excited states of molecular anions plays an important role in investigating electron attachment and detachment processes.Here we present a high-level theoretical study of the electronic st...
关键词：ANIONS dipole bound states alkali-metal-containing diatomic molecules 
Composition Engineering Opens an Avenue Toward Efficient and Sustainable Nitrogen Fixation被引量：2
《Energy & Environmental Materials》2024年第1期313-325,共13页Xiaolin Wang Liming Yang 
support from the National Natural Science Foundation of China(22073033,21873032,21673087,21903032);startup fund(2006013118 and 3004013105)from Huazhong University of Science and Technology;the Fundamental Research Funds for the Central Universities(2019kfyRCPY116);the Innovation and Talent Recruitment Base of New Energy Chemistry and Device(B21003)
In this work,we open an avenue toward rational design of potential efficient catalysts for sustainable ammonia synthesis through composition engineering strategy by exploiting the synergistic effects among the active ...
关键词：composition engineering strategy diatomic catalysts electrocatalytic nitrogen reduction reaction first-principles calculations graphdiyne hierarchical high-throughput screening synergistic effects 
Atomic Dispersed Hetero‑Pairs for Enhanced Electrocatalytic CO_(2)Reduction
《Nano-Micro Letters》2024年第1期55-67,共13页Zhaoyong Jin Meiqi Yang Yilong Dong Xingcheng Ma Ying Wang Jiandong Wu Jinchang Fan Dewen Wang Rongshen Xi Xiao Zhao Tianyi Xu Jingxiang Zhao Lei Zhang David J.Singh Weitao Zheng Xiaoqiang Cui 
the National Natural Science Foundation of China(22279044,12034002,and 22202080);the Project for Self-Innovation Capability Construction of Jilin Province Development and Reform Commission(2021C026);Jilin Province Science and Technology Development Program(20210301009GX);the Fundamental Research Funds for the Central Universities.
Electrochemical carbon dioxide reduction reaction(CO_(2)RR)involves a variety of intermediates with highly correlated reaction and ad-desorption energies,hindering optimization of the catalytic activity.For example,in...
关键词：CO_(2)reduction reaction Atomic dispersed catalyst Hetero-diatomic pair Ad-desorption energy Linear scaling relation 
The role of copper in enhancing the performance of heteronuclear diatomic catalysts for the electrochemical CO_(2)conversion to C_(1) chemicals被引量：3
《Journal of Energy Chemistry》2023年第10期490-500,I0013,共12页Qi Zhao Rachel Crespo-Otero Devis Di Tommaso 
the China Scholarship Council for financial support;the funding by the Leverhulme Trust(RPG2019-122);the ACT program(Accelerating CCS Technologies,Horizon2020 Project No.294766),which funded the FUNMIN project;Financial contributions were made from Department for Business,Energy&Industrial Strategy(BEIS)together with extra funding from NERC and EPSRC research councils,United Kingdom,ADEME(FR),MINECO-AEI(ES);partially funded by EPSRC(EP/P020194/1);funded by EPSRC(EP/L000202);supported by QMUL Research-IT。
Diatomic catalysts(DACs)with two adjacent metal atoms supported on graphene can offer diverse functionalities,overcoming the inherent limitations of single atom catalysts(SACs).In this study,density functional theory ...
关键词：Electrocatalytic CO_(2)reduction Single atom catalysts Diatomic catalysts Graphene Density functional theory calculations 
MOF-derived Fe based catalysts for efficiently Advanced Oxidation Processes: From single atoms to diatomic and nanoparticles被引量：1
《Progress in Natural Science:Materials International》2023年第4期534-543,共10页Xinyi Yang Jiewen Qin Zhichao Dai Yunqiang Sun Hongmei Liu Xiuwen Zheng Zunfu Hu 
supported by the Primary Research and Development Plan of Linyi City(No.2021031);the Natural Science Foundation of Shandong Province(No.ZR2020QB170 and ZR2020MB003);the National Natural Science Foundation of China(No.22075122)
Sub-nanometer catalysts have drawn great attention based on their superior catalytic activity and extensive application in advanced oxidation processes(AOPs).Nonetheless,the precise regulation of the coordination envi...
关键词：Fe diatomic catalysts Advanced oxidation processes Non-free radical pathways Double reaction sites High efficiency degradation 
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