Item Details

title

Understanding and Improving Hydrogen Storage Materials with Density Functional Theory Methods

author

Welchman, Evan

abstract

This work outlines some of the current issues driving the development of methods for using hydrogen as an energy carrier. I argue that suitably storing hydrogen is the key technological challenge to this effort. I describe the technical requirements for what constitutes a suitable hydrogen storage material and explain the three primary mecha- nisms by which these materials can operate. In many cases, the relevant physical and electronic properties of these materials can be modeled computationally with density functional theory, and I describe some of the myriad assumptions and methods necessary to do that.

contributor

Thonhauser, Timo (committee chair)

Salam, Akbar (committee member)

Cho, Samuel (committee member)

Jurchescu, Oana D (committee member)

Holzwarth, Natalie A W (committee member)

date

2017-06-15T08:36:12Z (accessioned)

2018-06-14T08:30:13Z (available)

2017 (issued)

degree

Physics (discipline)

embargo

2018-06-14 (terms)

identifier

http://hdl.handle.net/10339/82242 (uri)

language

en (iso)

publisher

Wake Forest University

type

Dissertation