| Autor: |
Koh SW; School of Mechanical and Aerospace Engineering, Nanyang Technological University, Singapore 639798.; CINTRA CNRS/NTU/THALES, UMI 3288, Research Techno Plaza, Singapore 637553., Rekhi L; School of Chemistry, Chemical Engineering and Biotechnology, Nanyang Technological University, 62 Nanyang Drive, Singapore 637459., Arramel; Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117551.; Nano Center Indonesia, Jalan Raya PUSPIPTEK, South Tangerang, Banten 15314, Indonesia., Birowosuto MD; CINTRA CNRS/NTU/THALES, UMI 3288, Research Techno Plaza, Singapore 637553.; Centre for Micro-/Nano-electronics (NOVITAS), School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798., Trinh QT; School of Chemistry, Chemical Engineering and Biotechnology, Nanyang Technological University, 62 Nanyang Drive, Singapore 637459.; Cambridge Centre for Advanced Research and Education in Singapore, CREATE Tower, 1 Create Way, Singapore 138602., Ge J; School of Mechanical and Aerospace Engineering, Nanyang Technological University, Singapore 639798., Yu W; Department of Chemistry, National University of Singapore, 3 Science Drive 3, Singapore 117543., Wee ATS; Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117551.; Centre for Advanced 2D Materials and Graphene Research Centre, National University of Singapore, 6 Science Drive 2, Singapore 117546., Choksi TS; School of Chemistry, Chemical Engineering and Biotechnology, Nanyang Technological University, 62 Nanyang Drive, Singapore 637459.; Cambridge Centre for Advanced Research and Education in Singapore, CREATE Tower, 1 Create Way, Singapore 138602., Li H; School of Mechanical and Aerospace Engineering, Nanyang Technological University, Singapore 639798.; CINTRA CNRS/NTU/THALES, UMI 3288, Research Techno Plaza, Singapore 637553.; Centre for Micro-/Nano-electronics (NOVITAS), School of Electrical and Electronic Engineering, Nanyang Technological University, Singapore 639798. |
| Abstrakt: |
MXenes, a class of two-dimensional materials, have garnered significant attention due to their versatile surface chemistry and customizable properties. In this study, we investigate the work function (WF) tuning capabilities of MXene Ti 3 C 2 T x , where T x denotes the surface termination, synthesized via both conventional hydrogen fluoride-etched and recently reported molten salt-etched routes. When MXene samples are subjected to gas phase reactions, WF variations exceeding 0.6 eV are achieved, highlighting the potential for precise WF control. Notably, the WF increases from ∼4.23 eV (in N-doped MXene etched using molten salt) to ∼4.85 eV (N-doped MXene etched using HF). Complementary density functional theory (DFT) calculations reveal WF tuning across a >1 eV range via modification of the surface with different terminal groups (bare metal, F*, O*, N*, and Cl*). These changes in WF are attributed to surface termination modifications and the formation of TiO 2 and TiN phases during annealing. DFT calculations further unveil an inverse correlation between the WF and the electron affinity of surface terminations. The findings from this comprehensive study provide insights into the tunable WF of MXenes, paving the way for their potential applications as interfacial layers in photovoltaic, energy conversion, and storage technologies. |
