About: Matildite versus schapbachite: First-principles investigation of the origin of photoactivity inAgBiS2

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scholarly article in Physical Review B, vol. 94 no. 23, December 2016

Attributes	Values
rdf:type	Item
description	wetenschappelijk artikel (nl) наукова стаття, опублікована в грудні 2016 (uk) im Dezember 2016 veröffentlichter wissenschaftlicher Artikel (de) scholarly article in Physical Review B, vol. 94 no. 23, December 2016 (en)
publication date	wds:Q58228193-8423BFC9-CDF0-457F-9861-2BC12C004EF4
publication date	2016-12-19 00:00:00Z (xsd:dateTime)
language of work or name	wds:Q58228193-8AE02F60-1639-4720-9463-52480B0FC323
language of work or name	English
cites work	wds:Q58228193-244E2E39-21D2-4698-8796-98E67008871C wds:Q58228193-252AA990-2CC0-444A-9C27-D375FDA86688 wds:Q58228193-3DF329D9-FEC5-44CD-92FE-AE914660D7ED wds:Q58228193-48303FA1-2185-4264-9A5F-E2087ED44A62 wds:Q58228193-48C92063-AF48-4306-A742-38010286B373 wds:Q58228193-4A461596-4E5B-412B-8647-CD9B90BA589B wds:Q58228193-4A6962A2-F53D-42A6-9D0A-884E4346BE2E wds:Q58228193-4A968D25-B5BF-48E9-B382-B993474BB0D9 wds:Q58228193-58576E9B-3944-4635-849F-7B9AF557E4B7 wds:Q58228193-6703052E-A69D-4118-BF5E-D9F89C4F7F7E wds:Q58228193-6F75AE52-1385-4B7D-8AD4-DECE3F8540B4 wds:Q58228193-75C8C348-FD11-45A7-B599-F65B79BCEAAA wds:Q58228193-79AA26B5-CCDE-4C2E-8EB6-7C750B9F116A wds:Q58228193-898FBD04-0B88-410B-9175-F0BC753D6E7A wds:Q58228193-9A65A3D7-93ED-43C0-8F7F-2E09FB92105C wds:Q58228193-AA568EA7-F305-4FD8-B27A-AFB95A4268B6 wds:Q58228193-AC22F52D-F410-45CB-BDFA-10EB7820CA15 wds:Q58228193-D42AC982-DED3-441C-8AB2-E902D54F8154 wds:Q58228193-EDCE4A47-7489-4E5B-86BA-C06FDF1EF703 wds:Q58228193-F4839BD7-CC72-4247-8C44-90AA74F535BE wds:Q58228193-F4A5E4FB-7B68-4733-B494-9FD02C2A9774
cites work	CRYSTAL14: A program for theab initioinvestigation of crystalline solids Density-functional thermochemistry. III. The role of exact exchange Generalized Gradient Approximation Made Simple Projector augmented-wave method Glass-like phonon scattering from a spontaneous nanostructure in AgSbTe2. Ground State of the Electron Gas by a Stochastic Method From ultrasoft pseudopotentials to the projector augmented-wave method Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Special points for Brillouin-zone integrations Li1.5La1.5MO6 (M = W 6+, Te 6+) as a new series of lithium-rich double perovskites for all-solid-state lithium-ion batteries Consistent Gaussian basis sets of triple-zeta valence with polarization quality for solid-state calculations Improved performance and stability in quantum dot solar cells through band alignment engineering Hybrid functional studies of the oxygen vacancy inTiO2 Excess electron states in reduced bulk anatase TiO2: Comparison of standard GGA, GGA+U, and hybrid DFT calculations Origin of the Order-Disorder Transition and the Associated Anomalous Change of Thermopower in AgBiS2 Nanocrystals: A Combined Experimental and Theoretical Study. Solution-processed solar cells based on environmentally friendly AgBiS2 nanocrystals Data mined ionic substitutions for the discovery of new compounds Reversible switching in phase-change materials Morphology effects in photoactive ZnO nanostructures: photooxidative activity of polar surfaces Performance of a modified hybrid functional in the simultaneous description of stoichiometric and reduced TiO2 polymorphs. Origin of Optical Excitations in Fluorine-Doped Titania from Response Function Theory: Relevance to Photocatalysis
author name string	wds:Q58228193-07A5A7F6-7C63-43DC-B0A4-491EE00CE3B1 wds:Q58228193-AD4E607F-8E78-4E7F-B5E1-5BA72EC82FDA wds:Q58228193-D393B3E5-C048-496C-929A-65175FDB98EF
author name string	Gerasimos Konstantatos María Bernechea Francesc Viñes
rdfs:label	Matildite versus schapbachite: First-principles investigation of the origin of photoactivity inAgBiS2 (en) Matildite versus schapbachite: First-principles investigation of the origin of photoactivity inAgBiS2 (nl)
skos:prefLabel	Matildite versus schapbachite: First-principles investigation of the origin of photoactivity inAgBiS2 (en) Matildite versus schapbachite: First-principles investigation of the origin of photoactivity inAgBiS2 (nl)
name	Matildite versus schapbachite: First-principles investigation of the origin of photoactivity inAgBiS2 (en) Matildite versus schapbachite: First-principles investigation of the origin of photoactivity inAgBiS2 (nl)
author	wds:Q58228193-174CE192-EDC9-47F6-99FC-A8870A3E2D43
author	Francesc Illas Riera
title	wds:Q58228193-193B0DBD-85F9-4025-B746-C5FAA282D0D0
title	Matildite versus schapbachite: First-principles investigation of the origin of photoactivity inAgBiS2 (en)
instance of	wds:Q58228193-4820D3B4-7466-4058-A98D-CB94F0ED5A46
instance of	scholarly article
published in	wds:Q58228193-DF95F481-2C64-44D4-B2C0-21AE15D0D4AE
published in	Physical Review B
issue	wds:Q58228193-C713C943-B1E0-452E-8B3F-170C054B34E0
volume	wds:Q58228193-4BCD26AB-4E98-4E66-9563-0F45CB47EF80
issue	23
volume	94
DOI	wds:Q58228193-76DC60DE-13BD-4E6E-B4C7-1042122F6064
DOI	http://dx.doi.org/10.1103/PHYSREVB.94.235203
DOI	10.1103/PHYSREVB.94.235203
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q58228193
is cites work of	Bandgap engineering by cationic disorder: case study on AgBiS2.
is cites work of	wds:Q47442105-283D0170-E7BB-423C-B984-C3C649CBDC55

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