纳米粒子系统稳定性、电子结构和吸附性能的第一性原理计算

IF 0.1 Q4 CHEMISTRY, MULTIDISCIPLINARY

Journal of Computer Chemistry-Japan Pub Date : 2021-08-28 DOI:10.2477/jccj.2021-0028

G. V. Huerta, Yusuke Nanba, N. Zulkifli, D. S. R. Rocabado, Takayoshi Ishimoto, M. Koyama

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引用次数: 0

摘要

a超级材料研究计划，新州大学b氢能系统系、工程研究生院、九州大学c纳米生物科学研究生院，横滨市立大学d高等科学与工程研究生学院，广岛大学e开放创新研究所，京都大学*koyama_michihisa@shinshu-u.ac.jp，koyama.michihisa.5k@kyoto-u.ac.jp

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First-Principles Calculations of Stability, Electronic Structure, and Sorption Properties of Nanoparticle Systems

a Research Initiative for Supra Materials, Shinshu University b Department of Hydrogen Energy Systems, Graduate School of Engineering, Kyushu University c Graduate School of Nanobioscience, Yokohama City University d Graduate School of Advanced Science and Engineering, Hiroshima University e Open Innovation Institute, Kyoto University *koyama_michihisa@shinshu-u.ac.jp, koyama.michihisa.5k@kyoto-u.ac.jp

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Journal of Computer Chemistry-Japan CHEMISTRY, MULTIDISCIPLINARY-

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