Vote for your favorite mineral in #MinCup25! - Zunyite vs. Molybdenite
It's the visually-unmistakable #zunyite vs the physically funky #molybdenite.
Log InRegister
Quick Links : The Mindat ManualThe Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
Home PageAbout MindatThe Mindat ManualHistory of MindatCopyright StatusWho We AreContact UsAdvertise on Mindat
Donate to MindatCorporate SponsorshipSponsor a PageSponsored PagesMindat AdvertisersAdvertise on Mindat
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
Minerals by PropertiesMinerals by ChemistryAdvanced Locality SearchRandom MineralRandom LocalitySearch by minIDLocalities Near MeSearch ArticlesSearch GlossaryMore Search Options
Search For:
Mineral Name:
Locality Name:
Keyword(s):
 
The Mindat ManualAdd a New PhotoRate PhotosLocality Edit ReportCoordinate Completion ReportAdd Glossary Item
Mining CompaniesStatisticsUsersMineral MuseumsClubs & OrganizationsMineral Shows & EventsThe Mindat DirectoryDevice SettingsThe Mineral Quiz
Photo SearchPhoto GalleriesSearch by ColorNew Photos TodayNew Photos YesterdayMembers' Photo GalleriesPast Photo of the Day GalleryPhotography

Riaz, Muhammad; Mukhtar, Muhammad Waqas; Ali, Syed Mansoor; Saleem, Muhammad Imran; Alotaibi, Rajeh (2025) HSE03 functional-based DFT screening the multifaceted properties of inorganic halide perovskites ABI3 (a = ca, Ba; B K, Rb) for cutting-edge optoelectronic applications. Chemical Physics, 599. doi:10.1016/j.chemphys.2025.112881

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleHSE03 functional-based DFT screening the multifaceted properties of inorganic halide perovskites ABI3 (a = ca, Ba; B K, Rb) for cutting-edge optoelectronic applications
JournalChemical Physics
AuthorsRiaz, MuhammadAuthor
Mukhtar, Muhammad WaqasAuthor
Ali, Syed MansoorAuthor
Saleem, Muhammad ImranAuthor
Alotaibi, RajehAuthor
Year2025 (November)Volume599
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2025.112881Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID18804080Long-form Identifiermindat:1:5:18804080:9
GUID0
Full ReferenceRiaz, Muhammad; Mukhtar, Muhammad Waqas; Ali, Syed Mansoor; Saleem, Muhammad Imran; Alotaibi, Rajeh (2025) HSE03 functional-based DFT screening the multifaceted properties of inorganic halide perovskites ABI3 (a = ca, Ba; B K, Rb) for cutting-edge optoelectronic applications. Chemical Physics, 599. doi:10.1016/j.chemphys.2025.112881
Plain TextRiaz, Muhammad; Mukhtar, Muhammad Waqas; Ali, Syed Mansoor; Saleem, Muhammad Imran; Alotaibi, Rajeh (2025) HSE03 functional-based DFT screening the multifaceted properties of inorganic halide perovskites ABI3 (a = ca, Ba; B K, Rb) for cutting-edge optoelectronic applications. Chemical Physics, 599. doi:10.1016/j.chemphys.2025.112881
In(2025) Chemical Physics Vol. 599. Elsevier BV

References Listed

These are the references the publisher has listed as being connected to the article. Please check the article itself for the full list of references which may differ. Not all references are currently linkable within the Digital Library.

Tian (2024) Nat. Commun. Upgrading CO2 to sustainable aromatics via perovskite-mediated tandem catalysis 15, 1
Zhang (2020) Adv. Funct. Mater. Halide perovskite materials for energy storage applications 30, 1
Suresh Kumar (2021) J. Mater. A review on perovskite solar cells (PSCs), materials and applications 7, 940
Not Yet Imported: Joule - journal-article : 10.1016/j.joule.2021.05.013

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Tong (2025) Fusion Eng. Des. Study on the changes in the reverse recovery characteristics of high-power thyristor under 14.1 MeV fusion neutron irradiation 211
Not Yet Imported: - journal-article : 10.1016/j.optmat.2020.110442

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Ziati (2021) Optik (Stuttg). Theoretical investigation of electronic, optical and thermoelectric properties of tellurium doped barium titanate (BTO) through modified Becke – Johnson exchange potential 231
Not Yet Imported: - journal-article : 10.1016/j.solener.2019.12.014

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1039/D0TC04552G

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: Materials Science in Semiconductor Processing - journal-article : 10.1016/j.mssp.2021.106345

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Li (2024) Adv. Mater. Robust growth of 2D transition metal Dichalcogenide vertical Heterostructures via ammonium-assisted CVD strategy 36, 1
Not Yet Imported: Light: Science & Applications - journal-article : 10.1038/s41377-022-01010-4

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1002/admt.202200419

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1002/er.8372

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Dahbi (2022) Mater Today Commun An oxygen vacancy defect and chalcogens impurities in earth-abundant lead-free calcium zirconate perovskite for non-toxic solar cells: first-principles calculations 33, 1
Not Yet Imported: Solid State Communications - journal-article : 10.1016/j.ssc.2022.114684

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: International Journal of Hydrogen Energy - journal-article : 10.1016/j.ijhydene.2022.10.187

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1016/j.eswa.2020.113617

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Kaleemullah (2024) 8
Kaleemullah (2024) Comput. Condens. Matter Study of optical responsivity and electronic properties of ternary halide perovskite semiconductors - CaKI3 and CaRbI3 for optoelectronic applications - a DFT approach 40
Khenata (2025) Indian J. Phys. Exploring optoelectronic, thermodynamic and thermoelectric characteristics of ternary halide perovskites CaRbX3 (X = cl or I) for photovoltaic and thermoelectric applications: a DFT insight 99, 2385
Ali (2024) Mater. Sci. Eng. B Physical properties and defect processes of Zr3AC2 (a=Al and Si) MAX phases: implication for radiation tolerance 308
Not Yet Imported: AIP Advances - journal-article : 10.1063/5.0048849

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.3390/ma15165684

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Mubashir (2021) Optik (Stuttg). Pressure induced electronic, optical and thermoelectric properties of cubic BaZrO3: a first principle calculations 239
Not Yet Imported: Silicon - journal-article : 10.1007/s12633-024-02898-w

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Peng (2025) J. Rare Earths Unveiling physical properties of LaMnSb and LuMnSb half-Heusler compounds for green energy applications: a DFT exploration
Not Yet Imported: Materials Science in Semiconductor Processing - journal-article : 10.1016/j.mssp.2021.106442

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Khan (2025) Chem. Pap. Correction to: Investigation of the structural, electronic, magnetic, mechanical, and optical properties of calcium-based CaJO3 (J=Mn, Ru) perovskites: A first-principle computations Chemical Papers 79, 107
Not Yet Imported: - journal-article : 10.1016/j.physe.2014.04.010

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: Ferroelectrics - journal-article : 10.1080/00150193.2017.1375304

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1016/j.jmrt.2022.08.101

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1016/j.cocom.2015.07.002

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1007/s10948-017-4181-7

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Gillani (2020) Mater Today Commun Effect of external pressure on the structural stability, electronic structure, band gap engineering and optical properties of LiNbO3: an ab-initio calculation 23
Not Yet Imported: - journal-article : 10.1039/D3MA00537B

If you would like this item imported into the Digital Library, please contact us quoting Journal ID


See Also

These are possibly similar items as determined by title/reference text matching only.

 
and/or  
Mindat.org is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2025, except where stated. Most political location boundaries are © OpenStreetMap contributors. Mindat.org relies on the contributions of thousands of members and supporters. Founded in 2000 by Jolyon Ralph.
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
Privacy Policy - Terms & Conditions - Contact Us / DMCA issues - Report a bug/vulnerability Current server date and time: September 12, 2025 16:35:28
Go to top of page