23-26 February 2021
Zoom Passcode: 990417
America/Chicago timezone

A First-Principles Investigation of Vanadium Pentoxide as a Sensor

26 Feb 2021, 17:55
10m
Zoom Link: https://kansas.zoom.us/j/92389769214 (Zoom Passcode: 990417)

Zoom Link: https://kansas.zoom.us/j/92389769214

Zoom Passcode: 990417

Zoom Link: https://kansas.zoom.us/j/92389769214 Zoom Passcode: 990417 Zoom Meeting ID: 923 8976 9214

Speaker

Christopher Sherald (Department of Physics & Astronomy)

Description

Using density functional theory (DFT) as implemented in the Vienna Ab initio Simulation Package (VASP) and the Atomic Simulation Environment (ASE) Python module, we will investigate under what conditions Vanadium Pentoxide (V2O5) can be used as a material for chemical gas sensors by simulating adsorption processes for simple molecules such as NH3, CO, H2O, etc. Some experiments have revealed that it is possible to use V2O5 as a sensor with capabilities highly dependent on operating temperature and nanostructure. Thus our simulations focus on probing the physicochemical and electronic properties of V2O5 at an atomic level to better understand its practical limitations.

Type of contribution Oral contribution (10 minutes)

Primary author

Christopher Sherald (Department of Physics & Astronomy)

Co-author

Dr Hartwin Peelaers (Department of Physics & Astronomy)

Presentation Materials

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