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Atomistic modeling of graphene oxide-encapsulated silver nanowire


Term:

Summer

Department:

3: Materials Science and Engineering

Faculty Supervisor:

Jeffrey C. Grossman

Faculty email:

jcg@mit.edu

Apply by:

May 15, 2020

Contact:

Yanming Wang, yanmingw@mit.edu

Project Description

Silver nanowires (Ag NWs) are promising building blocks for many novel applications, such as flexible electronics, transparent photovoltaic and etc. However, the degradation and failure of NWs induced by thermal strain are often observed, as one of the main challenges of the material. Recently, it has been reported that graphene oxide (GO)can be used to encapsulate the Ag NW networks to improve their thermal stability, with its underlying mechanisms largely unclear yet. In this project, we aim to employ advanced atomistic modeling techniques to investigate the GO-Ag NW system, from which we will be able to provide both the energetics and dynamical information at the nano-scale. This knowledge will be useful for us to achieve better understandings on the mechanisms of NW failure as well as the role of GO in this process.

Pre-requisites

Basic knowledge in materials science. Basic computational/programming skills (Comfortable with Linux, shell script, Matlab or Python) Experience in any atomistic modeling techniques (DFT, MD, etc) preferred.