1.

Theoretical study on wetting behavior of B-SWNT: Effects of doping concentration

作者: Yeh, Chen-Hao; Lin, Wan-Yi; Jiang, Jyh-Chiang

APPLIED SURFACE SCIENCE   卷冊: 497     文獻號碼: UNSP 143798   出版: DEC 15 2019

2.

B, N-co-doped graphene-supported Ir and Pt clusters for methane activation and CC coupling: A density functional theory study

作者: Damte, Jemal Yimer; Zhu, Zhan-Jun; Lin, Pin-Jun; Jiang, Jyh-Chiang 等.

JOURNAL OF COMPUTATIONAL CHEMISTRY     

3.

Understanding the Role of Dopant Metal Atoms on the Structural and Electronic Properties of Lithium-Rich Li1.2Ni0.2Mn0.6O2 Cathode Material for Lithium-Ion Batteries

作者: Lo, Wen-Tse; Yu, Ching; Leggesse, Ermias Girma; Jiang, Jyh-Chiang 等.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS   卷冊: 10   期: 17   頁數: 4842-4850   出版: SEP 5 2019

4.

Effect of External Electric Field on Methane Conversion on IrO2 (110) Surface: A Density Functional Theory Study

作者: Yeh, Chen-Hao; Thong Minh Le Pham; Nachimuthu, Santhanamoorthi; Jiang, Jyh-Chiang 等.

ACS CATALYSIS   卷冊: 9   期: 9   頁數: 8230-8242   出版: SEP 2019

5.

A first principles study of CO oxidation over gold clusters: The catalytic role of boron nitride support and water

作者: Fu, Shi-En; Yeh, Chen-Hao; Lin, Pin-Jun; Jiang, Jyh-Chiang 等.

MOLECULAR CATALYSIS   卷冊: 471   頁數: 44-53   出版: JUL 2019

6.

Theoretical Study of Electrochemical and Electrochromic Properties of Novel Viologen Derivatives: Effects of Donors and pi-Conjugation

作者: Nachimuthu, Santhanamoorthi; Shie, Wan-Ru; Liaw, Der-Jang; Jiang, Jyh-Chiang 等.

JOURNAL OF PHYSICAL CHEMISTRY B   卷冊: 123   期: 22   頁數: 4735-4744   出版: JUN 6 2019

7.

Theoretical study on halide and mixed halide Perovskite solar cells: Effects of halide atoms on the stability and electronic properties

作者: Busipalli, Dhana Lakshmi; Nachimuthu, Santhanamoorthi; Jiang, Jyh-Chiang

JOURNAL OF THE CHINESE CHEMICAL SOCIETY   卷冊: 66   期: 6   頁數: 575-582   出版: JUN 2019

8.

Dopamine sensing by boron and nitrogen co-doped single-walled carbon nanotubes: A first-principles study

作者: Yeh, Chen-Hao; Hsiao, Yung-Jou; Jiang, Jyh-Chiang

APPLIED SURFACE SCIENCE   卷冊: 473   頁數: 59-64   出版: APR 15 2019