Optoelectronic property analysis of MCrO4 (M=Ba, Sr) with a response to visible light irradiation

Verfasser / Beitragende:
[C. Tablero]
Ort, Verlag, Jahr:
2015
Enthalten in:
Theoretical Chemistry Accounts, 134/6(2015-06-01), 1-6
Format:
Artikel (online)
ID: 605487227
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024 7 0 |a 10.1007/s00214-015-1675-x  |2 doi 
035 |a (NATIONALLICENCE)springer-10.1007/s00214-015-1675-x 
100 1 |a Tablero  |D C.  |u Instituto de Energía Solar, E.T.S.I. de Telecomunicación, Universidad Politécnica de Madrid, Ciudad Universitaria s/n, 28040, Madrid, Spain  |4 aut 
245 1 0 |a Optoelectronic property analysis of MCrO4 (M=Ba, Sr) with a response to visible light irradiation  |h [Elektronische Daten]  |c [C. Tablero] 
520 3 |a Ternary MCrO4 (M=Ba, Sr) semiconductors are materials with a variety of photocatalyst and optoelectronic applications. We present detailed microscopic analyses based on first principles of the structure, the electronic properties and the optical absorption in which the difference between symmetrically non-equivalent atoms has been considered. The high absorption coefficients of these materials are split into chemical species contributions in accordance with the symmetry. The high optical absorption in these materials is mainly because of the Cr-O inter-species transitions. 
540 |a Springer-Verlag Berlin Heidelberg, 2015 
690 7 |a Optoelectronic properties  |2 nationallicence 
690 7 |a Semiconductors  |2 nationallicence 
690 7 |a Photovoltaics  |2 nationallicence 
773 0 |t Theoretical Chemistry Accounts  |d Springer Berlin Heidelberg  |g 134/6(2015-06-01), 1-6  |x 1432-881X  |q 134:6<1  |1 2015  |2 134  |o 214 
856 4 0 |u https://doi.org/10.1007/s00214-015-1675-x  |q text/html  |z Onlinezugriff via DOI 
898 |a BK010053  |b XK010053  |c XK010000 
900 7 |a Metadata rights reserved  |b Springer special CC-BY-NC licence  |2 nationallicence 
908 |D 1  |a research-article  |2 jats 
949 |B NATIONALLICENCE  |F NATIONALLICENCE  |b NL-springer 
950 |B NATIONALLICENCE  |P 856  |E 40  |u https://doi.org/10.1007/s00214-015-1675-x  |q text/html  |z Onlinezugriff via DOI 
950 |B NATIONALLICENCE  |P 100  |E 1-  |a Tablero  |D C.  |u Instituto de Energía Solar, E.T.S.I. de Telecomunicación, Universidad Politécnica de Madrid, Ciudad Universitaria s/n, 28040, Madrid, Spain  |4 aut 
950 |B NATIONALLICENCE  |P 773  |E 0-  |t Theoretical Chemistry Accounts  |d Springer Berlin Heidelberg  |g 134/6(2015-06-01), 1-6  |x 1432-881X  |q 134:6<1  |1 2015  |2 134  |o 214