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pro vyhledávání: '"Ford, MJ"'
Density functionals with asymptotic corrections to the long-range potential provide entry-level methods for calculations on molecules that can sustain charge transfer, but similar applications in materials science are rare. We describe an implementat
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https://explore.openaire.eu/search/publication?articleId=od_______363::232054464ae3095ad43cf408dd0af044
https://hdl.handle.net/10453/151945
https://hdl.handle.net/10453/151945
Autor:
Mendelson, N, Chugh, D, Reimers, JR, Cheng, TS, Gottscholl, A, Long, H, Mellor, CJ, Zettl, A, Dyakonov, V, Beton, PH, Novikov, SV, Jagadish, C, Tan, HH, Ford, MJ, Toth, M, Bradac, C, Aharonovich, I
Single-photon emitters (SPEs) in hexagonal boron nitride (hBN) have garnered increasing attention over the last few years due to their superior optical properties. However, despite the vast range of experimental results and theoretical calculations,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::4182ea37172a7e10156b861fb5e4dcc7
© 2020 American Physical Society. Extensive photochemical and spectroscopic properties of the VB- defect in hexagonal boron nitride are calculated, concluding that the observed photoemission associated with recently observed optically detected magne
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https://explore.openaire.eu/search/publication?articleId=od_______363::ab5c400d9436a3fbd6a5acf3ff5360e6
https://hdl.handle.net/10453/145334
https://hdl.handle.net/10453/145334
© 2020 American Physical Society. The VNNB defect in hexagonal boron nitride (h-BN), comprising a nitrogen vacancy adjacent to a nitrogen-for-boron substitution, is modelled in regard to its possible usefulness in a nanophotonics device. The modelli
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______363::5b0c4a42bdfbee1c0516d17c9eecd89b
https://hdl.handle.net/10453/144243
https://hdl.handle.net/10453/144243
Extensive photochemical and spectroscopic properties of the $V_B^-$ defect in hexagonal boron nitride are calculated, concluding that the observed photoemission associated with recently observed optically-detected magnetic resonance is most likely of
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a31bcb454d99de9518c1bc7921cca625
http://arxiv.org/abs/2006.16474
http://arxiv.org/abs/2006.16474
© 2020 Elsevier Ltd Electron beam induced etching (EBIE) has recently emerged as a promising direct-write nanofabrication technique. EBIE is typically assumed to proceed entirely through chemical pathways driven by electron-electron interactions. He
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https://explore.openaire.eu/search/publication?articleId=od_______363::34b342e3c723c05713f616d2d019804d
https://hdl.handle.net/10453/140088
https://hdl.handle.net/10453/140088
© 2020 Wiley-VCH GmbH The screening of novel materials is an important topic in the field of materials science. Although traditional computational modeling, especially first-principles approaches, is a very useful and accurate tool to predict the pr
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https://explore.openaire.eu/search/publication?articleId=od_______363::b5f73d85f194f9e4d1741ac651a6532d
https://hdl.handle.net/10453/143747
https://hdl.handle.net/10453/143747
© 2019 the Owner Societies. Interfacial metal-oxide systems with ultra-thin oxide layers are of high interest for their use in catalysis. The chemical activity of ultra-thin metal-oxide layers can be substantially enhanced compared to interfacial mo
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https://explore.openaire.eu/search/publication?articleId=od_______363::7c8ae0ee04560ecf2a89b3109412989c
https://hdl.handle.net/10453/137023
https://hdl.handle.net/10453/137023
© 2018 American Chemical Society. Following the recent demonstration that van der Waals forces control the ferroelectric ordering of layers within nanoflakes and bulk samples of CuBiP2Se6 and CuInP2S6, it is demonstrated that they also control the i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______363::5753bd8be21432033821b25a7e006398
https://hdl.handle.net/10453/131095
https://hdl.handle.net/10453/131095