Prof. Xihong Peng's Computational Group

Dr. Xihong Peng [CV]

Associate Professor in Physics
Science and Mathematics Faculty
College of Integrative Sciences and Arts
Arizona State University
Polytechnic Campus
Address: 7001 E. Williams Field Rd.
Mesa, AZ 85212, USA
Phone: (480)727-5013
Fax: (480)727-1236
Email: xihong.peng@asu.edu


Our research group at ASU Polytechnic Campus performs first-principles electronic structure calculations to explore novel materials and seek their application in nanoelectronics and renewable energies, as well as to gain a fundamental understanding of the materialsí properties at the atomic level.

Key Research Interests

  • First-principle calculations of electronic properties, strain effect and photo-chemical characteristics of group IV, V, III-V, II-VI 2D sheets (graphene and phosphorene), 1D nanowires/nanoribbons/anotubes, for potential application in nano-electronic devices.

  • Investigation of novel materials for photocatalysts and high capacity Li-ion battery electrodes through theoretical calculations.

  • Investigation of physical and photo-chemical properties of transition metal oxide catalysts via density-functional theory.

  • Engineering and testing of Pt-catalyzed proton exchange membrane fuel cell via simulations.

  • Development and study of novel Earth-abundant photovoltaic materials for solar cell application.