Ultrafast processes in photochromic material YHxOy studied by excited-state density functional theory simulation

Oxygen-containing rare-earth metal hydride, YH x O y , is a newly found photochromic material showing fast photoresponse. While its preparation method, optical properties and structural features have been studied extensively, the photochromic mechanism in YH x O y remains unknown. Here, using excite...

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Veröffentlicht in:	Science China materials 2020, Vol.63 (8), p.1579-1587
Hauptverfasser:	Chai, Jun, Shao, Zewei, Wang, Han, Ming, Chen, Oh, Wanseok, Ye, Tang, Zhang, Yong, Cao, Xun, Jin, Ping, Zhang, Shengbai, Sun, Yi-Yang
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemistry and Materials Science Chemistry/Food Science Computer simulation Density functional theory Excitation Materials Science Materials Science, Multidisciplinary Metal hydrides Molecular dynamics Optical properties Oxygen Photochemical reactions Photochromism Photoexcitation Rare earth elements Science & Technology Technology Time dependence
Online-Zugang:	Volltext
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