Literature DB >> 35653570

The structural origin of the efficient photochromism in natural minerals.

Pauline Colinet1, Hannah Byron2, Sami Vuori2, Juha-Pekka Lehtiö3, Pekka Laukkanen3, Ludo Van Goethem4, Mika Lastusaari2, Tangui Le Bahers1.   

Abstract

SignificanceNatural photochromic minerals have been reported by geologists for decades. However, the understanding of the photochromism mechanism has a key question still unanswered: What in their structure gives rise to the photochromism's reversibility? By combining experimental and computational methods specifically developed to investigate this photochromism, this work provides the answer to this fundamental question. The specific crystal structure of these minerals allows an unusual motion of the sodium atoms stabilizing the electronic states associated to the colored forms. With a complete understanding of the photochromism mechanism in hand, it is now possible to design new families of stable and tunable photochromic inorganic materials-based devices.

Entities:  

Keywords:  UV-vis spectroscopy; aluminosilicates; density functional theory; doping; photochromism

Year:  2022        PMID: 35653570      PMCID: PMC9191633          DOI: 10.1073/pnas.2202487119

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   12.779


  15 in total

1.  Periodic ab initio study of structural and vibrational features of hexagonal hydroxyapatite Ca10(PO4)6(OH)2.

Authors:  Marta Corno; Claudia Busco; Bartolomeo Civalleri; Piero Ugliengo
Journal:  Phys Chem Chem Phys       Date:  2006-04-24       Impact factor: 3.676

2.  Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density.

Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1988-01-15

3.  Modeling the Photochromism of S-Doped Sodalites Using DFT, TD-DFT, and SAC-CI Methods.

Authors:  Antton Curutchet; Tangui Le Bahers
Journal:  Inorg Chem       Date:  2016-12-15       Impact factor: 5.165

Review 4.  The Bethe-Salpeter equation in chemistry: relations with TD-DFT, applications and challenges.

Authors:  Xavier Blase; Ivan Duchemin; Denis Jacquemin
Journal:  Chem Soc Rev       Date:  2018-02-05       Impact factor: 54.564

5.  Absolutely Localized Projection-Based Embedding for Excited States.

Authors:  Xuelan Wen; Daniel S Graham; Dhabih V Chulhai; Jason D Goodpaster
Journal:  J Chem Theory Comput       Date:  2019-12-12       Impact factor: 6.006

6.  Design of Collective Motions from Synthetic Molecular Switches, Rotors, and Motors.

Authors:  Damien Dattler; Gad Fuks; Joakim Heiser; Emilie Moulin; Alexis Perrot; Xuyang Yao; Nicolas Giuseppone
Journal:  Chem Rev       Date:  2019-12-23       Impact factor: 60.622

7.  Unravelling the Origin of the Yellow-Orange Luminescence in Natural and Synthetic Scapolites.

Authors:  Féodor Blumentritt; Camille Latouche; Yann Morizet; Maria-Teresa Caldes; Stéphane Jobic; Emmanuel Fritsch
Journal:  J Phys Chem Lett       Date:  2020-05-29       Impact factor: 6.475

8.  Mechanisms of Tenebrescence and Persistent Luminescence in Synthetic Hackmanite Na8Al6Si6O24(Cl,S)2.

Authors:  Isabella Norrbo; Pawel Gluchowski; Iko Hyppänen; Tero Laihinen; Pekka Laukkanen; Jaakko Mäkelä; Fikret Mamedov; Hellen S Santos; Jari Sinkkonen; Minnea Tuomisto; Antti Viinikanoja; Mika Lastusaari
Journal:  ACS Appl Mater Interfaces       Date:  2016-05-02       Impact factor: 9.229

Review 9.  UV Photochromism in Transition Metal Oxides and Hybrid Materials.

Authors:  Aminuddin Bin Ahmad Kayani; Sruthi Kuriakose; Mahta Monshipouri; Fararishah Abdul Khalid; Sumeet Walia; Sharath Sriram; Madhu Bhaskaran
Journal:  Small       Date:  2021-06-08       Impact factor: 13.281

10.  The vibrational spectrum of alpha-AlOOH diaspore: an ab initio study with the CRYSTAL code.

Authors:  R Demichelis; Y Noel; B Civalleri; C Roetti; M Ferrero; R Dovesi
Journal:  J Phys Chem B       Date:  2007-07-13       Impact factor: 2.991

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