Regulative Fe-3d orbitals via lying-down conformation of metalorganic molecules-axially coordinated MXene for rechargeable Zn-air batteries
學年 113
學期 2
出版（發表）日期 2025-05-09
作品名稱 Regulative Fe-3d orbitals via lying-down conformation of metalorganic molecules-axially coordinated MXene for rechargeable Zn-air batteries
作品名稱（其他語言）
著者 Khoa Dang Tran; Thanh Hai Nguyen; Duy Thanh Tran; Abhisek Majumdar; Van An Dinh; Thi Thuy Nga Ta; Chung-Li Dong; Nam Hoon Kim; Joong Hee Lee
單位
出版者
著錄名稱、卷期、頁數 Advanced Functional Materials 35(19), 2422254
摘要 A bifunctional electrocatalyst is developed, exhibiting high catalytic activity and reversibility for the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) through a regulative Fe d-orbital engineering strategy. In this strategy, iron phthalocyanine organic molecule (FeOM) crystals are axially coordinated onto multilayer Mo2CTx MXene (FeOM-Mo2CTx), adopting a lying-down conformation. This hybridization fosters unique electronic guest–host interactions, with FeOM donating charge to Mo2CTx via Fe−O bonding, leading to symmetry breaking in electronic distribution and modified delocalization of Fe-3d charge, accompanied by a Fe(II) spin-state transition. These transformations enhance the adsorption and desorption toward oxygenated intermediates, optimizing the *OOH−*O transition to boost the reversibility of ORR and OER kinetics. The FeOM-Mo2CTx exhibits a favorable ORR half-wave potential of 0.961 V and a minimal OER overpotential of 349 mV at 10 mA cm−2 in 1.0 m KOH. The assembled aqueous zinc-air battery (ZAB) achieves a peak power density of 155.3 mW cm−2 and exceptional charge–discharge durability over 1500 h, outperforming a conventional (Pt/C + RuO2) system. Overall, the findings underscore the significance of electronic structural engineering of FeOM with Mo2CTx, paving the way for innovative air cathodes in the development of rechargeable ZABs with enhanced performance and cost-effectiveness.
關鍵字 metalorganic molecules; modified Fe-3d electrons; multilayer MXene; rechargeable Zn–Air batteries
語言 en
ISSN 1616-301X; 1616-3028
期刊性質 國外
收錄於 SCI
產學合作
通訊作者
審稿制度 是
國別 DEU
公開徵稿
出版型式 ,電子版,紙本
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機構典藏連結 ( http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/129524 )