N. A. W. Holzwarth

Wake Forest University — United States

Engineering · Physical Sciences

7h-index481citations38works0.02yr avg
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Research Topics

Advanced Battery Materials and Technologies(13), Advancements in Battery Materials(8), Solid-state spectroscopy and crystallography(7), Advanced Battery Technologies Research(4), Luminescence Properties of Advanced Materials(3)

Publications38 total

Computational Investigation of the Electrolyte Properties of Li <sub>12</sub> P <sub>3</sub> N <sub>9</sub> and Its High Pressure Polymorph Li <sub>4</sub> PN <sub>3</sub> through First-Principles Simulations
Journal of The Electrochemical Society·2020· 2 cited
Fundamental aspects of the structural and electrolyte properties of <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Li</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi>OHCl</mml:mi></mml:mrow></mml:math> from simulations and experiment
Physical Review Materials·2017· 44 citedOpen Access
Computational study of Li$_2$OHCl as a possible solid state battery material
Bulletin of the American Physical Society·2017
Computational study of ideal electrolyte/anode interfaces for Na$_3$SbS$_4$/Na
Bulletin of the American Physical Society·2017
Improving the Computational Efficiency and Accuracy of Projector Augmented Wave Datasets
AGU Fall Meeting Abstracts·2016
Lithiation of $Li_{2}SnO_{3}$ and $Li_{2}SnS_{3}$ in context of Li-ion battery materials
Bulletin of the American Physical Society·2016
First Principles Investigation of the Geometrical and Electrochemical Properties of Na 4 P 6 and Li 4 P 2 S 6
APS March Meeting Abstracts·2016
Modeling solid electrolyte/electrode interface stability using first principles calculations
Bulletin of the American Physical Society·2015
Structure and interface properties of the electrolyte material Li$_4$P$_2$S$_6$
Bulletin of the American Physical Society·2015
First principles simulations of Cu$_2$ZnSnS$_x$O$_{4-x}$ alloys
Bulletin of the American Physical Society·2014
First principles modeling of interfaces of lithium (thio) phosphate solid electrolytes and lithium metal anodes
Bulletin of the American Physical Society·2014
First principles simulations of Cu 2 ZnSnS x -x alloys
APS March Meeting Abstracts·2014
First principles computer simulations of Li$_{10}$GeP$_2$S$_{12}$ and related lithium superionic conductors
Bulletin of the American Physical Society·2012
Two implementations of the Projector Augmented Wave (PAW) formalism 1
2009
Simulation of Li ion diffusion near electrolyte-metal interface -- Li$_3$PO$_4$ and Li
Bulletin of the American Physical Society·2008
Mechanisms of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:msup><mml:mi mathvariant="normal">Li</mml:mi><mml:mo>+</mml:mo></mml:msup></mml:math>diffusion in crystalline<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>γ</mml:mi></mml:math>- and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>β</mml:mi><mml:mtext>−</mml:mtext><mml:msub><mml:mi mathvariant="normal">Li</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:mi mathvariant="normal">P</mml:mi><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math>electrolytes from first principles
Physical Review B·2007· 101 cited
Simulations of Li ion diffusion in the electrolyte material -- Li$_3$PO$_4$
Bulletin of the American Physical Society·2007
Li-ion diffusion mechanisms in crystalline Li$_3$PO$_4$ electrolytes
Bulletin of the American Physical Society·2007· 1 cited
Simulated electrolyte-metal interfaces -- Li$_3$PO$_4$ and Li
Bulletin of the American Physical Society·2007
Li Ion Diffusion Mechanisms in the Crystalline Electrolyte γ-Li[sub 3]PO[sub 4]
Journal of The Electrochemical Society·2007· 77 cited
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Frequent Co-authors

Alan Tackett(8), G. Eric Matthews(8), R. B. Dunning(6), Yaojun A. Du(5), Y. Abraham(3), R. T. Williams(3), Jason D. Howard(2), Zachary D. Hood(2), G. Loupias(2), D. Guérard(2), Ahmad Al-Qawasmeh(2), Chaochao Dun(2), Wenxiao Huang(2), David Carroll(2), Larry E. Rush(2), Nicholas Lepley(2), Cameron Kates(2), Y. Zhang(1), M. J. G. Lee(1), Sohrab Rabii(1)