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

• المؤلفون الرئيسيون: Liang, Caihong, Yen, Zhihao, Salim, Teddy, Lam, Yeng Ming
• مؤلفون آخرون: School of Materials Science and Engineering
• التنسيق: مقال
• اللغة: English
• منشور في: 2023
• الموضوعات: Engineering::Materials::Composite materials; Urea Adsorption; MXene; Transition Metal Doping; VASP; DFT
• الوصول للمادة أونلاين: https://hdl.handle.net/10356/172101
• المؤسسة: 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...