2026-09-20T04:49:06Zhttps://wakespace.lib.wfu.edu/server/oai/request

oai:null:10339/822422026-09-02T12:21:32Zcom_10339_14934col_10339_38132

Welchman, Evan 2017-06-15T08:36:12Z 2018-06-14T08:30:13Z 2017 https://wakespace.lib.wfu.edu/handle/10339/82242 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. en Wake Forest University Understanding and Improving Hydrogen Storage Materials with Density Functional Theory Methods Dissertation Thonhauser, Timo Salam, Akbar Cho, Samuel Jurchescu, Oana D Holzwarth, Natalie A W Physics 2018-06-14 open.access