Elucidation of the synergistic effects of 3d metal (M = Cu, Co, and Ni) dopants and terminations (T = –O– and –OH) of Ti₃ C₂Tₓ MXenes for urea adsorption ability via DFT calculations and experiments

• Main Authors: Liang, Caihong, Yen, Zhihao, Salim, Teddy, Lam, Yeng Ming
• Other Authors: School of Materials Science and Engineering
• Format: Article
• Language: English
• Published: 2023
• Subjects: Engineering::Materials::Composite materials; Urea Adsorption; MXene; Transition Metal Doping; VASP; DFT
• Online Access: https://hdl.handle.net/10356/172101
• Institution: Nanyang Technological University

Dialysis is an artificial process to remove excess urea toxins from the body through adsorption or conversion. Urea adsorption by emergent 2D materials such as MXenes is one probable approach. Based on density functional theory (DFT) studies, the surface of Ti3C2Tx (T = –O– and –OH) MXenes is not op...