近日，课题组2018级材料物理本科生刘雨淳在博士生曹守福的协助指导下高水平完成2022届本科毕业设计工作，其成果“Precise electronic structure modulation on MXene-based single atom catalysts for high-performance electrocatalytic CO₂ reduction reaction: a first-principle study”以共同一作的身份发表于国际知名期刊Journal of colloid and interface science（2022年中科院SCI期刊一区TOP期刊，IF=9.965）！

Abstract:

Electrocatalytic CO₂ reduction reaction (CO₂RR) to CO is a logical approach to achieve a carbon-neutral cycle. In this work, a series of Ti₂CO₂ and O vacancy containing Ti₂CO₂ MXene-based transition metal (TM) single atom catalysts (SACs), including TM-Ti₂CO₂ and TM-Ov-Ti₂CO₂, are explored for high-performance CO₂RR. Sc/Ti/V/Cr-Ti₂CO₂ and Ni-Ov-Ti₂CO₂ are screened out with limiting potential (UL) more positive than -0.50 V. Ni-Ov-Ti₂CO₂ is a candidate catalyst for CO₂RR to CO, considering its activity with UL of -0.27 eV, and the selectivity relevant to hydrogen evolution reaction and HCOOH production. Meanwhile, a novel activity descriptor of TM-Ti-O group valence state is proposed according to that TMs work in synergy with coordinated Ti and O atoms and a level of around 0.64 e- benefits to CO₂RR. This work highlights oxygen vacancy containing Ti₂CO₂-based Ni SAC as a promising catalyst for CO₂RR, and provides a feasible electronic structure design principle for guiding the design of MXene-based SACs for CO₂RR.

    恭喜刘雨淳！

    个人简介：

    刘雨淳，男，中共党员，材料科学与工程学院材料物理专业2018级本科生，现已推免至中国科学技术大学攻读硕士学位。曾任材料物理1801班班长，材料科学与工程学院学生会主席。本科期间曾获山东省优秀毕业生、山东省优秀学生干部、校十佳团员标兵、校优秀学生、优秀学生干部、优秀共青团干部等荣誉；曾获国家奖学金、中国石油奖学金、社会工作奖学金、科技创新奖学金、文体奖学金、创新创业实践卓越之星三等奖学金等奖学金；曾获美国大学生数学建模竞赛H奖、全国大学生数学建模竞赛山东省二等奖、山东省大学生物理竞赛二等奖等竞赛奖项；曾参演20余场大型文艺晚会，并获第二十五届校园舞蹈大赛优秀奖、人气奖，参与第十五届青年健身节定向越野比赛，获团体第二名；获内蒙古昆都仑区优秀青年志愿者称号。