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论文类型：期刊论文

发表时间：2021-03-05

发表刊物：ACS APPLIED NANO MATERIALS

卷号：3

期号：11

页面范围：10778-10786

ISSN号：2574-0970

关键字：electrocatalytic dechlorination; ethylene production; core-shell NiMn2O4; first-principle calculations; active sites

摘要：Electrocatalytic dechlorination continually attracts attention in dealing with chlorinated volatile organic compounds (CVOCs) due to its mild reaction conditions, economical, and environmental friendliness. Unfortunately, the electrocatalysts were reported to suffer from low dechlorination reactivity and selectivity, as well as unclear active sites. Here, we developed a core-shell NiMn2 O-4 (NiMn2O4-CS) via a facile solvothermal method as an efficient cafbnclo catalyst for selective dechlorination of 1, 2-dichloroethane (1,2-DCA) into highly valuable ethylene. NiMn2O4-CS provided more active sites that could accelerate electron transfer efficiency and fix more intermediate species (*CH2CH2Cl). The as-prepared electrode showed significant current density (18.11 mA/cm(2)) potential of -2.75 V (vs SCE) and an ethylene Faradaic efficiency of Transfer coefficient a points out a concerted mechanism of dechlorination. first-principles calculations indicated that the Ni atoms in octahedral sites of NiMn2O4 are the main active sites for 1,2-DCA dechlorination to ethylene. In addition, a remarkable charge transfer appeared between the intermediate of *CH2CH2Cl and the Ni-oct sites of NiMn2O4. This work provides reasonable ideas for the design of dechlorination electrocatalysts and the friendly transformation of CVOCs.