Research graph
References from Theoretical insights into structural, elastic, and optoelectronic properties of the pure, doped, and co-doped strontium hafnium perovskite for photovoltaic application. Local targets link to admitted publications; unresolved targets remain external evidence.
Fossil energy sources, climate change, and alternative solutions
2011 · External reference
Green energy for sustainability and energy security
2011 · External reference
Renewable energy sources–a review
2022 · External reference
Unresolved reference
2021 · External reference
Hybrid functional calculations of point defects and hydrogen in SrZrO3
10.1103/physrevb.89.184109 · 2014 · External reference
Evaluation of thermodynamics, formation energetics and electronic properties of vacancy defects in CaZrO3
10.1038/s41598-017-08189-2 · 2017 · External reference
A-site cation bulk and surface diffusion in A- site-deficient BaZrO3 and SrZrO3 perovskites
10.1021/acs.jpcc.7b02677 · 2017 · External reference
Chalcogens doped BaTiO3 for visible light photocatalytic hydrogen production from water splitting
10.1016/j.saa.2018.09.048 · 2019 · External reference
The role of dimensionality on the optoelectronic properties of oxide and halide perovskites, and their halide derivatives
10.1002/aenm.202100499 · 2022 · External reference
Unique optoelectronic properties and applications of lead‐free perovskites and derivatives
10.2991/978-94-6463-932-2 · 2025 · External reference
Perovskite oxides for visible-light-absorbing ferroelectric and photovoltaic materials
10.1038/nature12622 · 2013 · External reference
Perovskite type ABO3 oxides in photocatalysis, electrocatalysis, and solid oxide fuel cells: state of the art and future prospects
10.1021/acs.chemrev.4c00553 · 2025 · External reference
State-of-art review on smart perovskites materials: properties and applications
10.1007/s42247-024-00645-w · 2024 · External reference
Comprehensive review of perovskite materials: developments in crystal engineering, device integration, and broad-spectrum applications in energy and electronics
10.12732/ijam.v38i5s.304 · 2025 · External reference
Elasticity, electronic structure, and dielectric property of cubic SrHfO3 from first‐principles
10.1002/pssb.200844173 · 2009 · External reference
Electronic and optical properties of cubic SrHfO3 at different pressures: a first principles study
10.1016/j.matchemphys.2016.11.045 · 2017 · External reference
Doping in semiconductor oxides‐based electron transport materials for perovskite solar cells application
10.1002/solr.202000605 · 2021 · External reference
Investigation of structural, electronic and optical properties of (V+ P)-doped BaZrO3 for photocatalytic applications using density functional theory
10.1016/j.jpcs.2020.109662 · 2020 · External reference
Ab-initio investigation of structural, elastic, optoelectronic, thermoelectric and thermodynamic properties of the pure, doped and co-doped calcium hafnate perovskite for photovoltaic applications
2025 · External reference
Exploring the role of anion (S) doping in CaZrO3: a first-principles approach to its physical properties
2025 · External reference
Computational design of stable and high-performance Zintl phases X2ZrN2 (X = Li, Na, K, Rb) for high-temperature thermoelectric energy conversion
10.1016/j.cocom.2026.e01231 · 2026 · External reference
Density-functional theory of the energy gap
10.1103/physrevlett.51.1888 · 1983 · External reference
Full-potential, linearized augmented plane wave programs for crystalline systems
10.1016/0010-4655(90)90187-6 · 1990 · External reference
WIEN2k: an APW+lo program for calculating the properties of solids
10.1063/1.5143061 · 2020 · External reference
A theoretical study of electronic, magnetic, magnetocaloric and thermoelectric of perovskite LaCoO3 compound with high spin
2024 · External reference
DFT and Monte Carlo investigations of electronic structure, magnetic, magnetocaloric, and thermoelectric properties of the perovskite SrXO3 (X= Mn and Fe) compound
10.1142/s0217984924501707 · 2024 · External reference
10.1007/s11082-024-07414-3
10.1007/s11082-024-07414-3 · External reference
DFT investigation of the structural, optoelectronic, thermoelectric, and thermodynamic properties of metal phosphides MP2 (M= Co, Rh, and Ir)
2025 · External reference
The effect of chalcogens-doped with dilation strain on the electronic, optic, and thermoelectric properties of BaSnO3 perovskite
10.1007/s43207-022-00212-1 · 2022 · External reference
Analysis of the local-density approximation of density-functional theory
10.1103/physreva.37.1895 · 1988 · External reference
First-principles theory of structural phase transitions in cubic perovskites
1998 · External reference
Predicting band gaps and band-edge positions of oxide perovskites using density functional theory and machine learning
2022 · External reference
Performance of the modified Becke-Johnson potential for semiconductors
10.1103/physrevb.86.195106 · 2012 · External reference
Chalcogens' impurities and a single F-center in perovskite SrHfO3 compound: ab initio calculations
10.1016/j.mssp.2021.106271 · 2022 · External reference
High-temperature phase transitions in SrHfO3
10.1103/physrevb.60.2972 · 1999 · External reference
The vacancy-ordered halide double perovskite Cs2B1-xTixI6 (B= Zr, Hf) for photovoltaic and photocatalytic hydrogen production by splitting water applications: First-principal calculations
2024 · External reference
Earth-abundant nontoxic ternary calcium nitrides inverse perovskites for single-junction solar cells: Ab-initio simulations
10.1016/j.mssp.2022.106959 · 2022 · External reference
Ab-initio study of the structural, electronic, optical, and thermoelectric properties of chalcogenide-doped Sr2UZnO6
10.1016/j.ssc.2025.116024 · 2025 · External reference
Novel Ti-Doped Rb2BI6 (B= Zr or Hf) double perovskites for photovoltaic and Photo catalytic applications: a first-principles study
10.1016/j.surfin.2025.107394 · 2025 · External reference
Hydrogen storage and optoelectronic properties of lithium-based Li2BH6 (B= Pt, Pd, Ni) free-lead perovskite hydrides: a first-principles investigation
10.1016/j.est.2025.118707 · 2025 · External reference
Hydrogen storage potential and physical properties of XSiH3 (X= Bi, Ga) Perovskite hydrides: a first-principles study
10.1016/j.cocom.2025.e01133 · 2025 · External reference
Ab-initio investigation of the physical properties of LiBH3 perovskite for hydrogen storage applications
10.1016/j.est.2025.118927 · 2025 · External reference
On the stability of crystal lattices. I
10.1017/s0305004100017138 · 1940 · External reference
The elastic behavior of a crystalline aggregate
10.1088/0370-1298/65/5/307 · 1952 · External reference
DFT study of cubic, tetragonal and trigonal structures of KGeCl3 perovskites for photovoltaic applications
2023 · External reference
First-principle analysis of the structural, mechanical, optical and electronic properties of wollastonite monoclinic polymorph
10.1016/j.cocom.2017.12.004 · 2018 · External reference
Impact of complete sulfur substitution by selenium and tellurium on the structural, electronic, optical, and photocatalytic properties of CaAl2S4: a DFT investigation
10.1016/j.mtcomm.2025.113377 · 2025 · External reference
Band gap narrowing and visible-light absorption in chalcogen-doped NaTaO3 for photovoltaic applications
10.1016/j.cocom.2025.e01176 · 2025 · External reference
Optical properties of epitaxial SrHfO3 thin films grown on Si
10.1063/1.2812425 · 2007 · External reference
An oxygen vacancy defect and chalcogens impurities in earth-abundant lead-free calcium zirconate perovskite for non-toxic solar cells: first-principles calculations
2022 · External reference
First-principles calcula- tions to investigate photovoltaic, photocatalytic, and spintronic properties of Fe-doped and alloyed MgSiO3 perovskite
10.1016/j.jpcs.2025.112773 · 2025 · External reference
Engi- neering the optoelectronic and thermoelectric properties of Cs2BiAgY6 (Y= Br or Cl) double perovskites through doping with iodine: a DFT study
10.1016/j.jpcs.2024.112229 · 2024 · External reference
Unresolved reference
External reference
Defective perovskites Cs2SeCl6 and Cs2TeCl6 as novel high temperature potential thermoelectric materials
10.1016/j.mssp.2021.105728 · 2021 · External reference
Optoelectronic and transport properties of Rb/Cs2TeI6 defective perovskites for green energy applications
10.1002/er.6378 · 2020 · External reference
Ab initio study for the structural, electronic, magnetic, optical, and thermoelectric properties of K2OsX6 (X = Cl, Br) compounds
10.1002/er.5613 · 2020 · External reference
The new eco-friendly lead-free zirconate perovskites doped with chalcogens for solar cells: ab initio calculations
10.1016/j.optmat.2020.110442 · 2020 · External reference
Engineering hydrogen-active Cs2TeBr6 double perovskites through complete Se and S chalcogen substitution: insights from DFT study
2026 · External reference
The role of dimensionality on the optoelectronic properties of oxide and halide perovskites, and their halide derivatives
10.1002/aenm.202100499 · ExternalCitation · doi-reference
Ab initio study for the structural, electronic, magnetic, optical, and thermoelectric properties of K2OsX6 (X = Cl, Br) compounds
10.1002/er.5613 · ExternalCitation · doi-reference
Optoelectronic and transport properties of Rb/Cs2TeI6 defective perovskites for green energy applications
10.1002/er.6378 · ExternalCitation · doi-reference
Elasticity, electronic structure, and dielectric property of cubic SrHfO3 from first‐principles
10.1002/pssb.200844173 · ExternalCitation · doi-reference
Doping in semiconductor oxides‐based electron transport materials for perovskite solar cells application
10.1002/solr.202000605 · ExternalCitation · doi-reference
10.1007/s11082-024-07414-3
10.1007/s11082-024-07414-3 · ExternalCitation · doi-reference
State-of-art review on smart perovskites materials: properties and applications
10.1007/s42247-024-00645-w · ExternalCitation · doi-reference
The effect of chalcogens-doped with dilation strain on the electronic, optic, and thermoelectric properties of BaSnO3 perovskite
10.1007/s43207-022-00212-1 · ExternalCitation · doi-reference
Full-potential, linearized augmented plane wave programs for crystalline systems
10.1016/0010-4655(90)90187-6 · ExternalCitation · doi-reference
First-principle analysis of the structural, mechanical, optical and electronic properties of wollastonite monoclinic polymorph
10.1016/j.cocom.2017.12.004 · ExternalCitation · doi-reference
Hydrogen storage potential and physical properties of XSiH3 (X= Bi, Ga) Perovskite hydrides: a first-principles study
10.1016/j.cocom.2025.e01133 · ExternalCitation · doi-reference
Band gap narrowing and visible-light absorption in chalcogen-doped NaTaO3 for photovoltaic applications
10.1016/j.cocom.2025.e01176 · ExternalCitation · doi-reference
Computational design of stable and high-performance Zintl phases X2ZrN2 (X = Li, Na, K, Rb) for high-temperature thermoelectric energy conversion
10.1016/j.cocom.2026.e01231 · ExternalCitation · doi-reference
Hydrogen storage and optoelectronic properties of lithium-based Li2BH6 (B= Pt, Pd, Ni) free-lead perovskite hydrides: a first-principles investigation
10.1016/j.est.2025.118707 · ExternalCitation · doi-reference
Ab-initio investigation of the physical properties of LiBH3 perovskite for hydrogen storage applications
10.1016/j.est.2025.118927 · ExternalCitation · doi-reference
Investigation of structural, electronic and optical properties of (V+ P)-doped BaZrO3 for photocatalytic applications using density functional theory
10.1016/j.jpcs.2020.109662 · ExternalCitation · doi-reference
Engi- neering the optoelectronic and thermoelectric properties of Cs2BiAgY6 (Y= Br or Cl) double perovskites through doping with iodine: a DFT study
10.1016/j.jpcs.2024.112229 · ExternalCitation · doi-reference
First-principles calcula- tions to investigate photovoltaic, photocatalytic, and spintronic properties of Fe-doped and alloyed MgSiO3 perovskite
10.1016/j.jpcs.2025.112773 · ExternalCitation · doi-reference
Electronic and optical properties of cubic SrHfO3 at different pressures: a first principles study
10.1016/j.matchemphys.2016.11.045 · ExternalCitation · doi-reference
Defective perovskites Cs2SeCl6 and Cs2TeCl6 as novel high temperature potential thermoelectric materials
10.1016/j.mssp.2021.105728 · ExternalCitation · doi-reference
Chalcogens' impurities and a single F-center in perovskite SrHfO3 compound: ab initio calculations
10.1016/j.mssp.2021.106271 · ExternalCitation · doi-reference
Earth-abundant nontoxic ternary calcium nitrides inverse perovskites for single-junction solar cells: Ab-initio simulations
10.1016/j.mssp.2022.106959 · ExternalCitation · doi-reference
Impact of complete sulfur substitution by selenium and tellurium on the structural, electronic, optical, and photocatalytic properties of CaAl2S4: a DFT investigation
10.1016/j.mtcomm.2025.113377 · ExternalCitation · doi-reference
The new eco-friendly lead-free zirconate perovskites doped with chalcogens for solar cells: ab initio calculations
10.1016/j.optmat.2020.110442 · ExternalCitation · doi-reference
Chalcogens doped BaTiO3 for visible light photocatalytic hydrogen production from water splitting
10.1016/j.saa.2018.09.048 · ExternalCitation · doi-reference
Ab-initio study of the structural, electronic, optical, and thermoelectric properties of chalcogenide-doped Sr2UZnO6
10.1016/j.ssc.2025.116024 · ExternalCitation · doi-reference
Novel Ti-Doped Rb2BI6 (B= Zr or Hf) double perovskites for photovoltaic and Photo catalytic applications: a first-principles study
10.1016/j.surfin.2025.107394 · ExternalCitation · doi-reference
On the stability of crystal lattices. I
10.1017/s0305004100017138 · ExternalCitation · doi-reference
Perovskite type ABO3 oxides in photocatalysis, electrocatalysis, and solid oxide fuel cells: state of the art and future prospects
10.1021/acs.chemrev.4c00553 · ExternalCitation · doi-reference
A-site cation bulk and surface diffusion in A- site-deficient BaZrO3 and SrZrO3 perovskites
10.1021/acs.jpcc.7b02677 · ExternalCitation · doi-reference
Perovskite oxides for visible-light-absorbing ferroelectric and photovoltaic materials
10.1038/nature12622 · ExternalCitation · doi-reference
Evaluation of thermodynamics, formation energetics and electronic properties of vacancy defects in CaZrO3
10.1038/s41598-017-08189-2 · ExternalCitation · doi-reference
Optical properties of epitaxial SrHfO3 thin films grown on Si
10.1063/1.2812425 · ExternalCitation · doi-reference
WIEN2k: an APW+lo program for calculating the properties of solids
10.1063/1.5143061 · ExternalCitation · doi-reference
The elastic behavior of a crystalline aggregate
10.1088/0370-1298/65/5/307 · ExternalCitation · doi-reference
Analysis of the local-density approximation of density-functional theory
10.1103/physreva.37.1895 · ExternalCitation · doi-reference
High-temperature phase transitions in SrHfO3
10.1103/physrevb.60.2972 · ExternalCitation · doi-reference
Performance of the modified Becke-Johnson potential for semiconductors
10.1103/physrevb.86.195106 · ExternalCitation · doi-reference
Hybrid functional calculations of point defects and hydrogen in SrZrO3
10.1103/physrevb.89.184109 · ExternalCitation · doi-reference
Density-functional theory of the energy gap
10.1103/physrevlett.51.1888 · ExternalCitation · doi-reference
DFT and Monte Carlo investigations of electronic structure, magnetic, magnetocaloric, and thermoelectric properties of the perovskite SrXO3 (X= Mn and Fe) compound
10.1142/s0217984924501707 · ExternalCitation · doi-reference
Comprehensive review of perovskite materials: developments in crystal engineering, device integration, and broad-spectrum applications in energy and electronics
10.12732/ijam.v38i5s.304 · ExternalCitation · doi-reference
Unique optoelectronic properties and applications of lead‐free perovskites and derivatives
10.2991/978-94-6463-932-2 · ExternalCitation · doi-reference
