First Principles Calculations Toward Understanding SERS of 2,2'-Bipyridyl Adsorbed on Au, Ag, and Au-Ag Nanoalloy.

Takenaka, Masato; Hashimoto, Yoshikazu; Iwasa, Takeshi; Taketsugu, Tetsuya; Seniutinas, Gediminas; Balcytis, Armandas; Juodkazis, Saulius; Nishijima, Yoshiaki.

Afiliação

Takenaka M; Graduate School of Chemical Sciences and Engineering, Hokkaido University, Kita 10, Nishi 8, Kita-ku, Sapporo 060-0810, Japan.
Hashimoto Y; Department of Electrical and Computer Engineering, Graduate School of Engineering, Yokohama National University, 79-5 Tokiwadai, Hodogaya-ku, Yokohama 240-8501, Japan.
Iwasa T; Graduate School of Chemical Sciences and Engineering, Hokkaido University, Kita 10, Nishi 8, Kita-ku, Sapporo 060-0810, Japan.
Taketsugu T; Department of Chemistry, Faculty of Science, Hokkaido University, Kita 10, Nishi 8, Kita-ku, Sapporo 060-0810, Japan.
Seniutinas G; Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Kyoto 615-8245.
Balcytis A; Graduate School of Chemical Sciences and Engineering, Hokkaido University, Kita 10, Nishi 8, Kita-ku, Sapporo 060-0810, Japan.
Juodkazis S; Department of Chemistry, Faculty of Science, Hokkaido University, Kita 10, Nishi 8, Kita-ku, Sapporo 060-0810, Japan.
Nishijima Y; Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Kyoto 615-8245.

J Comput Chem ; 40(8): 925-932, 2019 Mar 30.

Article em En | MEDLINE | ID: mdl-30368857