Atomic configuration of hydrogenated and clean tantalum(111) surfaces : bond relaxation, energy entrapment and electron polarization

• Main Authors: Bo, Maolin, Li, Lei, Guo, Yongling, Yao, Chuang, Peng, Cheng, Sun, Changqing
• Other Authors: School of Electrical and Electronic Engineering
• Format: Article
• Language: English
• Published: 2020
• Subjects: Engineering::Electrical and electronic engineering; Transition Metal Adsorption; Zone-selective Electron Spectroscopy
• Online Access: https://hdl.handle.net/10356/142159
• Institution: Nanyang Technological University

By studying the tantalum (Ta)(111) surface with X-ray photoemission spectroscopy and density functional theory, we determined binding energy values for the clean Ta(111) (+3.068 eV) and hydrogenated Ta(111) (+3.421 eV) surfaces with an isolated atom level of 18.977 eV. Using the bond–band barrier an...