First principle calculation of catalytic activity of palladium and platinum alloy with non-precious metals

• Main Author: Liu, Ji
• Other Authors: Sun Changqing
• Format: Theses and Dissertations
• Language: English
• Published: 2019
• Subjects: DRNTU::Engineering::Electrical and electronic engineering
• Online Access: https://hdl.handle.net/10356/82407; http://hdl.handle.net/10220/47541
• Institution: Nanyang Technological University

Noble metals are widely used and researched in heterogeneous catalysis due to remarkable catalytic performances. In this thesis, we have investigated on the catalytic activity of palladium (Pd) and platinum (Pt) based bimetallic alloy by density functional theory (DFT) calculations. Firstly, we have...