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Physical Review B

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J. Chem. Theory Comput. (1)

Articles Citing

Electric field induced formation of a two-dimensional adatom gas on cryogenic Li surfaces

Shyam Katnagallu ^1,*, Samuel Henrique Mattoso ¹, Huan Zhao ^1,2, Se-Ho Kim ^1,3, Jing Yang ¹, Baptiste Gault ^1,4, Christoph Freysoldt ^1,†, and Jörg Neugebauer ¹

¹Max Planck Institute for Sustainable Materials, Max-Planck-Straße 1, 40237 Düsseldorf, Germany
²State Key Laboratory for Mechanical Behavior of Materials, Xi'an Jiaotong University, Xi'an, China
³Materials Science and Engineering, Korea University, Seoul 02841, Republic of Korea
⁴Department of Materials, Imperial College London, Royal School of Mines, Exhibition Road, London SW7 2AZ, United Kingdom

^*Contact author: s.katnagallu@mpie.de
^†Contact author: c.freysoldt@mpie.de

User-Defined Electrostatic Potentials in DFT Supercell Calculations: Implementation and Application to Electrified Interfaces

Samuel Mattoso, Jing Yang, Florian Deißenbeck, Ahmed Abdelkawy, Christoph Freysoldt, Stefan Wippermann, Mira Todorova, and Jörg Neugebauer

J. Chem. Theory Comput. 22 2597 (2026)

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ISSN 2469-9969 (online), 2469-9950 (print).

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