First-principles studies on transport property and adsorption characteristics of trimethylamine on α-MoO3 molecular device

- The transport and adsorption properties of TMA on α-MoO3 molecular device are investigated using first-principles.
- The density of states gets modified upon adsorption of TMA on α-MoO3 molecular device.
- The electron density is found to be more along oxygen sites than in molybdenum sites.
- The response of MoO3 base material towards TMA molecule is explored in terms of I-V characteristics.