2023年6月16日，材料学top期刊《SMALL》在线发表了物理与电子信息学院张伟斌博士和加拿大滑铁卢大学工程学院吴义民(YiMin WU ）教授合作的最新研究成果《Comprehensive Study Addressing the Challenge of Efficient Electrocatalytic Biomass Upgrading of 5-(Hydroxymethyl) Furfural (HMF) with a CH3NH2 Ionic Liquid on Metal-Embedded Mo2B2 MBene Nanosheets》。

Abstract:

Amine-containing derivatives are important intermediates in drug manufacturing; sustainable synthesis of amine compounds from green carbon-based biomass derivatives has attracted increasing attention, especially the reductive amination of biomass molecules via electrochemical upgrading. To achieve efficient reductive amination of 5-(hydroxymethyl)furfural (HMF) via electrocatalytic biomass upgrading, this work proposes a new HMF biomass upgrading strategy based on metal supported on Mo2B2 MBene nanosheets using a density functional theory comprehensive study. HMF and methylamine (CH3CH2) can be reduced to 5-(hydroxymethyl) aldiminefurfural (HMMAMF) via electrocatalytic biomass upgrading, which is identified as a promising technology to produce pharmaceutical intermediates. Based on the proposed reaction mechanisms of HMF reductive amination, this work performs a systematic study of HMF amination to HMMAMF using an atomic model simulation method. This study aims to design a high-efficiency catalyst based on Mo2B2@TM nanosheets via the reductive amination of 5-HMF and provide insights into the intrinsic relation between thermochemical and material electronic properties and the role of dopant metals. This work establishes the Gibbs free energy profiles of each reaction HMF Biomass Upgrading on Mo2B2 systems and obtained the limiting potentials of the rate-determining step, which included the kinetic stability of dopants, HMF adsorbability, and the catalytic activity and selectivity of the hydrogen evolution reaction or surface oxidation. Furthermore, charge transfer, d-band center (εd), and material property (φ) descriptors are applied to establish a linear correlation to determine promising candidate catalysts for reductive amination of HMF. The candidates Mo2B2@Cr, Mo2B2@Zr, Mo2B2@Nb, Mo2B2@Ru, Mo2B2@Rh, and Mo2B2@Os are suitable high-efficiency catalysts for HMF amination. This work may contribute to the experimental application of biomass upgrading catalysts for biomass energy and guide the future development of biomass conversion strategies and utilization.

https://doi.org/10.1002/smll.202302271

据悉，2023年5月9日，《化学工程杂志》（Chemical Engineering Journal）在线发表了云师大物理与电子信息学院张伟斌博士和中国地质大学（北京）陈代梅团队合作的最新研究成果。https://blog.sciencenet.cn/blog-454141-1387525.html

2023年5月25日，云师大张伟斌博士与加拿大滑铁卢大学合作在国际著名《Materials Today Physics》发表最新研究成果.https://blog.sciencenet.cn/blog-454141-1389600.html