Structures, Li mobilities, and interfacial properties of solid electrolytes LiPS and LiPO from first principles ND Lepley, NAW Holzwarth, YA Du Physical Review B—Condensed Matter and Materials Physics 88 (10), 104103, 2013 | 209 | 2013 |
Modeling interfaces between solids: Application to Li battery materials ND Lepley, NAW Holzwarth Physical Review B 92 (21), 214201, 2015 | 84 | 2015 |
Computer modeling of lithium phosphate and thiophosphate electrolyte materials NAW Holzwarth, ND Lepley, YA Du Journal of Power Sources 196 (16), 6870-6876, 2011 | 79 | 2011 |
Electronic structure packages: Two implementations of the projector augmented wave (PAW) formalism M Torrent, NAW Holzwarth, F Jollet, D Harris, N Lepley, X Xu Computer Physics Communications 181 (11), 1862-1867, 2010 | 65 | 2010 |
Computer modeling of crystalline electrolytes: lithium thiophosphates and phosphates ND Lepley, NAW Holzwarth Journal of the Electrochemical Society 159 (5), A538, 2012 | 56 | 2012 |
Computer modeling of crystalline electrolytes-lithium thiophosphates and phosphates N Lepley, N Holzwarth ECS Transactions 35 (14), 39, 2011 | 12 | 2011 |
A Computer Modeling Study of Lithium Phosphate and Thiophosphate Electrolyte Materials N Holzwarth, N Lepley, Y Du ECS Meeting Abstracts, 517, 2010 | 2 | 2010 |
A formalism for modeling solid electrolyte/electrode interfaces using first principles methods N Lepley, N Holzwarth APS March Meeting Abstracts 2016, R52. 011, 2016 | | 2016 |
Modeling solid electrolyte/electrode interface stability using first principles calculations N Lepley, NAW Holzwarth APS March Meeting Abstracts 2015, Y34. 013, 2015 | | 2015 |
First principles investigations of solid-solid interfaces in lithium battery materials N Lepley Wake Forest University, 2015 | | 2015 |
First principles modeling of interfaces of lithium (thio) phosphate solid electrolytes and lithium metal anodes NAW Holzwarth, ND Lepley, ANM Al-Qawasmeh, CM Kates APS March Meeting Abstracts 2014, F25. 008, 2014 | | 2014 |
First principles modeling of the interface between a solid state lithium thiophosphate electrolyte and a lithium metal anode NAW Holzwarth ECS Meeting Abstracts, 563, 2013 | | 2013 |
First principles investigation of the superionic electrolyte Li7P3S11 N Lepley, NAW Holzwarth APS March Meeting Abstracts 2012, A26. 009, 2012 | | 2012 |
Modeling the interface of Li metal and Li solid electrolytes from first principles N Lepley, NAW Holzwarth | | |