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A substitutional quantum defect in WS2 discovered by high-throughput computational screening and fabricated by site-selective STM manipulation.
Thomas JC, Chen W, Xiong Y, Barker BA, Zhou J, Chen W, Rossi A, Kelly N, Yu Z, Zhou D, Kumari S, Barnard ES, Robinson JA, Terrones M, Schwartzberg A, Ogletree DF, Rotenberg E, Noack MM, Griffin S, Raja A, Strubbe DA, Rignanese GM, Weber-Bargioni A, Hautier G. Thomas JC, et al. Among authors: rignanese gm. Nat Commun. 2024 Apr 26;15(1):3556. doi: 10.1038/s41467-024-47876-3. Nat Commun. 2024. PMID: 38670956 Free article.
Ferroelectricity and multiferroicity in anti-Ruddlesden-Popper structures.
Markov M, Alaerts L, Miranda HPC, Petretto G, Chen W, George J, Bousquet E, Ghosez P, Rignanese GM, Hautier G. Markov M, et al. Among authors: rignanese gm. Proc Natl Acad Sci U S A. 2021 Apr 27;118(17):e2026020118. doi: 10.1073/pnas.2026020118. Proc Natl Acad Sci U S A. 2021. PMID: 33893238 Free PMC article.
The Limited Predictive Power of the Pauling Rules.
George J, Waroquiers D, Di Stefano D, Petretto G, Rignanese GM, Hautier G. George J, et al. Among authors: rignanese gm. Angew Chem Int Ed Engl. 2020 May 4;59(19):7569-7575. doi: 10.1002/anie.202000829. Epub 2020 Mar 20. Angew Chem Int Ed Engl. 2020. PMID: 32065708 Free PMC article.
Limits to Hole Mobility and Doping in Copper Iodide.
Willis J, Claes R, Zhou Q, Giantomassi M, Rignanese GM, Hautier G, Scanlon DO. Willis J, et al. Among authors: rignanese gm. Chem Mater. 2023 Oct 25;35(21):8995-9006. doi: 10.1021/acs.chemmater.3c01628. eCollection 2023 Nov 14. Chem Mater. 2023. PMID: 38027540 Free PMC article.
Automated Bonding Analysis with Crystal Orbital Hamilton Populations.
George J, Petretto G, Naik A, Esters M, Jackson AJ, Nelson R, Dronskowski R, Rignanese GM, Hautier G. George J, et al. Among authors: rignanese gm. Chempluschem. 2022 Nov;87(11):e202200246. doi: 10.1002/cplu.202200246. Epub 2022 Aug 10. Chempluschem. 2022. PMID: 35946984
36 results