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Flexibility-Induced Robustness in Molecular Catalysts for Electrocatalytic CO2 Reduction

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成果类型:
期刊论文
作者:
Chen, Kejun;Ou, Pengfei;Cao, Maoqi;Wu, Linlin;Liu, Kang;...
通讯作者:
Liu, M;Jing, Lihong;Han, BX;Zhang, J
作者机构:
[Chen, Kejun; Mei, Ziwen; Liu, Min; Cao, Maoqi; Li, Hongmei; Liu, Kang; Fu, Junwei] Cent South Univ, Hunan Joint Int Res Ctr Carbon Dioxide Resource U, Sch Phys, State Key Lab Powder Met, Changsha 410083, Peoples R China.
[Jing, Lihong; Han, Buxing] Chinese Acad Sci, Beijing Natl Lab Mol Sci, Ctr Carbon Neutral Chem, Inst Chem,CAS Lab Colloid & Interface & Thermodyn, Beijing 100190, Peoples R China.
[Ou, Pengfei] Natl Univ Singapore, Dept Chem, Singapore 117543, Singapore.
[Cao, Maoqi] Bozhou Univ, Dept Elect & Informat Engn, Bozhou 236800, Peoples R China.
[Li, Wenzhang; Wu, Linlin] Cent South Univ, Sch Chem & Chem Engn, Changsha 410083, Peoples R China.
通讯机构:
[Han, BX ; Jing, LH; Liu, M ] C
[Zhang, J ] U
Cent South Univ, Hunan Joint Int Res Ctr Carbon Dioxide Resource U, Sch Phys, State Key Lab Powder Met, Changsha 410083, Peoples R China.
Chinese Acad Sci, Beijing Natl Lab Mol Sci, Ctr Carbon Neutral Chem, Inst Chem,CAS Lab Colloid & Interface & Thermodyn, Beijing 100190, Peoples R China.
Cent South Univ, Sch Met & Environm, Changsha 410083, Peoples R China.
语种:
英文
期刊:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
ISSN:
0002-7863
年:
2025
卷:
147
期:
37
页码:
34019-34026
基金类别:
'la Caixa' Foundation [52121004]; Foundation for Innovative Research Groups of the National Natural Science Foundation of China [22376222, 52372253]; National Natural Science Foundation of China [XDB0960300]; Strategic Priority Research Program of CAS [2023RC1012]; Science and Technology Innovation Program of Hunan Province [2024JJ4051]; Natural Science Foundation of Hunan Province for Excellent Youth Scholars [2025JJ60104, 2024JJ6484, 2023JJ40705]; Natural Science Foundation of Hunan Province [2023QYJC012]; Central South University Research Program of Advanced Interdisciplinary Studies [2023AH052275]; Key Project of Universities in Anhui Province [MCIN/AEI/10.13039/501100011033]; Anhui Province's Project for Attracting and Cul-tivating High-End Talents of Outstanding Young Scholars and Talents; Fundacio Cellex; Fundacio Mir-Puig [100010434]; La Caixa Foundation [Y2022017]; Youth Innovation Promotion Association CAS; NSRRC in Taiwan; High-Performance Computing Center of Central South University
机构署名:
本校为其他机构
院系归属:
材料科学与工程学院
摘要:
CO(2) electroreduction to produce fuels and chemicals is of great significance. Molecular catalysts offer valuable advantages in light of their well-defined active sites and tunable structural and electronic properties. However, their stability is often compromised by rigid conjugated structures. Herein, we proposed a hydrogen-bond regulation strategy that enables reversible structural deformation of metal phthalocyanines (MPcs) by incorporating methoxy groups into the phthalocyanine framework, thereby improving the flexibility and stability of MPcs. Calculations suggested that intermediate ab...

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