{"publication_status":"published","user_id":"171","publication":"Phys. Rev. Materials","publisher":"American Physical Society","_id":"33965","status":"public","type":"journal_article","page":"105401","intvolume":"         6","volume":6,"title":"Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory","year":"2022","ddc":["530"],"file_date_updated":"2022-10-31T15:05:24Z","date_updated":"2023-04-21T11:30:08Z","language":[{"iso":"eng"}],"file":[{"date_updated":"2022-10-31T15:05:24Z","content_type":"application/pdf","file_name":"PhysRevMaterials.6.105401.pdf","success":1,"file_size":3945388,"relation":"main_file","creator":"adrianab","file_id":"33966","date_created":"2022-10-31T15:05:24Z","access_level":"closed"}],"doi":"10.1103/PhysRevMaterials.6.105401","author":[{"full_name":"Bocchini, Adriana","first_name":"Adriana","id":"58349","last_name":"Bocchini","orcid":"0000-0002-2134-3075"},{"id":"171","last_name":"Gerstmann","orcid":"0000-0002-4476-223X","full_name":"Gerstmann, Uwe","first_name":"Uwe"},{"id":"49683","last_name":"Bartley","full_name":"Bartley, Tim","first_name":"Tim"},{"full_name":"Steinrück, Hans-Georg","first_name":"Hans-Georg","id":"84268","last_name":"Steinrück","orcid":"0000-0001-6373-0877"},{"full_name":"Henkel, Gerald","first_name":"Gerald","last_name":"Henkel"},{"orcid":"0000-0002-2717-5076","last_name":"Schmidt","id":"468","first_name":"Wolf Gero","full_name":"Schmidt, Wolf Gero"}],"has_accepted_license":"1","date_created":"2022-10-31T15:00:19Z","department":[{"_id":"15"},{"_id":"295"},{"_id":"230"},{"_id":"2"},{"_id":"165"},{"_id":"633"},{"_id":"429"},{"_id":"35"},{"_id":"790"}],"project":[{"name":"PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing","_id":"52"},{"name":"TRR 142: TRR 142","_id":"53"},{"_id":"55","name":"TRR 142 - B: TRR 142 - Project Area B"},{"name":"TRR 142 - A: TRR 142 - Project Area A","_id":"54"},{"name":"TRR 142 - A11: TRR 142 - Subproject A11","_id":"166"},{"name":"TRR 142 - B07: TRR 142 - Subproject B07","_id":"168"}],"citation":{"apa":"Bocchini, A., Gerstmann, U., Bartley, T., Steinrück, H.-G., Henkel, G., &#38; Schmidt, W. G. (2022). Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory. <i>Phys. Rev. Materials</i>, <i>6</i>, 105401. <a href=\"https://doi.org/10.1103/PhysRevMaterials.6.105401\">https://doi.org/10.1103/PhysRevMaterials.6.105401</a>","mla":"Bocchini, Adriana, et al. “Electrochemical Performance of KTiOAsO_4 (KTA) in Potassium-Ion Batteries from Density-Functional Theory.” <i>Phys. Rev. Materials</i>, vol. 6, American Physical Society, 2022, p. 105401, doi:<a href=\"https://doi.org/10.1103/PhysRevMaterials.6.105401\">10.1103/PhysRevMaterials.6.105401</a>.","ama":"Bocchini A, Gerstmann U, Bartley T, Steinrück H-G, Henkel G, Schmidt WG. Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory. <i>Phys Rev Materials</i>. 2022;6:105401. doi:<a href=\"https://doi.org/10.1103/PhysRevMaterials.6.105401\">10.1103/PhysRevMaterials.6.105401</a>","short":"A. Bocchini, U. Gerstmann, T. Bartley, H.-G. Steinrück, G. Henkel, W.G. Schmidt, Phys. Rev. Materials 6 (2022) 105401.","chicago":"Bocchini, Adriana, Uwe Gerstmann, Tim Bartley, Hans-Georg Steinrück, Gerald Henkel, and Wolf Gero Schmidt. “Electrochemical Performance of KTiOAsO_4 (KTA) in Potassium-Ion Batteries from Density-Functional Theory.” <i>Phys. Rev. Materials</i> 6 (2022): 105401. <a href=\"https://doi.org/10.1103/PhysRevMaterials.6.105401\">https://doi.org/10.1103/PhysRevMaterials.6.105401</a>.","ieee":"A. Bocchini, U. Gerstmann, T. Bartley, H.-G. Steinrück, G. Henkel, and W. G. Schmidt, “Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory,” <i>Phys. Rev. Materials</i>, vol. 6, p. 105401, 2022, doi: <a href=\"https://doi.org/10.1103/PhysRevMaterials.6.105401\">10.1103/PhysRevMaterials.6.105401</a>.","bibtex":"@article{Bocchini_Gerstmann_Bartley_Steinrück_Henkel_Schmidt_2022, title={Electrochemical performance of KTiOAsO_4 (KTA) in potassium-ion batteries from density-functional theory}, volume={6}, DOI={<a href=\"https://doi.org/10.1103/PhysRevMaterials.6.105401\">10.1103/PhysRevMaterials.6.105401</a>}, journal={Phys. Rev. Materials}, publisher={American Physical Society}, author={Bocchini, Adriana and Gerstmann, Uwe and Bartley, Tim and Steinrück, Hans-Georg and Henkel, Gerald and Schmidt, Wolf Gero}, year={2022}, pages={105401} }"},"oa":"1","main_file_link":[{"url":"https://journals.aps.org/prmaterials/abstract/10.1103/PhysRevMaterials.6.105401","open_access":"1"}]}