研究紹介
研究テーマ
Exploration and searching for novel materials for catalytic and energy applications in heterogeneous and homogeneous catalysis
キーワード
Heterogeneous catalysis, homogeneous catalysis
研究概要
Having significant experience in simulation of energy related processes and heterogeneous catalysis, I am now focusing on chemical reactions catalyzed by catalysts in liquid or gaseous forms i.e. homogeneous catalysis. Specifically, probing atom-economic route to amino acid derivatives through amidocarbonylation and so on. Investigations of such reactions at atomic and molecular level will provide a deeper understanding, which would help provide ways to manipulate and design new chemical reactions in collaboration with experimentalist at ICReDD.
代表的な研究成果
- Thermoelectric Response of Bulk and Monolayer MoSe2 and WSe2
S. Kumar, U. Schwingenschlögl, Chem. Mater., 2015, 27, 1278-1284
DOI: 10.1021/cm504244b - Ultralow lattice thermal conductivity in monolayer C3N as compared to graphene
S. Kumar, S. Sharma, V. Babar, and U. Schwingenschlögl, J. Mater. Chem. A, 2017, 5, 20407-2041
DOI: 10.1039/C7TA05872A - Arsenene and antimonene: Two-dimensional materials with high thermoelectric figures of merit
S. Sharma, S. Kumar and U. Schwingenschlögl, Phys. Rev. Applied, 2017, 8 044013
DOI: 10.1103/PhysRevApplied.8.044013 - Thermoelectric performance of functionalized Sc2C Mxenes
S. Kumar and U. Schwingenschlögl, Phys. Rev. B, 2016, 94 035405
DOI: 10.1103/PhysRevB.94.035405 - Boron nitride for enhanced oxidative dehydrogenation of ethylbenzene
Rui Han, Jianyong Diao, Sonu Kumar, Andrey Lyalin, Tetsuya Taketsugu, Gilberto Casillas, Christopher Richardson, Feng Liu, Chang Won Yoon, Hongyang Liu, Xudong Sun, Zhenguo Huang, accepted in J. Energy Chem., 2020