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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.
Is Ba3In2O6a high-Tcsuperconductor?
Hensling FVE, Dahliah D, Smeaton MA, Shrestha B, Show V, Parzyck CT, Hennighausen C, Kotsonis GN, Rignanese GM, Barone MR, Subedi I, Disa AS, Shen KM, Faeth BD, Bollinger AT, Božović I, Podraza NJ, Kourkoutis LF, Hautier G, Schlom DG. Hensling FVE, et al. Among authors: rignanese gm. J Phys Condens Matter. 2024 May 9;36(31). doi: 10.1088/1361-648X/ad42f3. J Phys Condens Matter. 2024. PMID: 38657622
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.
Shared metadata for data-centric materials science.
Ghiringhelli LM, Baldauf C, Bereau T, Brockhauser S, Carbogno C, Chamanara J, Cozzini S, Curtarolo S, Draxl C, Dwaraknath S, Fekete Á, Kermode J, Koch CT, Kühbach M, Ladines AN, Lambrix P, Himmer MO, Levchenko SV, Oliveira M, Michalchuk A, Miller RE, Onat B, Pavone P, Pizzi G, Regler B, Rignanese GM, Schaarschmidt J, Scheidgen M, Schneidewind A, Sheveleva T, Su C, Usvyat D, Valsson O, Wöll C, Scheffler M. Ghiringhelli LM, et al. Among authors: rignanese gm. Sci Data. 2023 Sep 14;10(1):626. doi: 10.1038/s41597-023-02501-8. Sci Data. 2023. PMID: 37709811 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
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 Jun 7;87(11):e202200123. doi: 10.1002/cplu.202200123. Online ahead of print. Chempluschem. 2022. PMID: 35762686
OPTIMADE, an API for exchanging materials data.
Andersen CW, Armiento R, Blokhin E, Conduit GJ, Dwaraknath S, Evans ML, Fekete Á, Gopakumar A, Gražulis S, Merkys A, Mohamed F, Oses C, Pizzi G, Rignanese GM, Scheidgen M, Talirz L, Toher C, Winston D, Aversa R, Choudhary K, Colinet P, Curtarolo S, Di Stefano D, Draxl C, Er S, Esters M, Fornari M, Giantomassi M, Govoni M, Hautier G, Hegde V, Horton MK, Huck P, Huhs G, Hummelshøj J, Kariryaa A, Kozinsky B, Kumbhar S, Liu M, Marzari N, Morris AJ, Mostofi AA, Persson KA, Petretto G, Purcell T, Ricci F, Rose F, Scheffler M, Speckhard D, Uhrin M, Vaitkus A, Villars P, Waroquiers D, Wolverton C, Wu M, Yang X. Andersen CW, et al. Among authors: rignanese gm. Sci Data. 2021 Aug 12;8(1):217. doi: 10.1038/s41597-021-00974-z. Sci Data. 2021. PMID: 34385453 Free PMC article.
36 results