Research graph
References from Insights of electronic and optical properties of TM7B3 (TM = Tc, Ru and Rh) borides by first-principles calculations. Local targets link to admitted publications; unresolved targets remain external evidence.
Designing transition-metal-boride-based electrocatalysts for applications in electrochemical water splitting
10.1039/d0nr01279c · 2020 · External reference
Recent research in solar-driven hydrogen production
2024 · External reference
Atomic heterointerface engineering of nickel selenide confined nickel molybdenum nitride for high‐performance solar‐driven water splitting
10.1002/eem2.12526 · 2023 · External reference
A review of green hydrogen production based on solar energy; techniques and methods
2024 · External reference
Solar-driven hydrogen production: recent advances, challenges, and future perspectives
10.1021/acsenergylett.1c02591 · 2022 · External reference
Interface engineering strategies for enhanced electrocatalytic hydrogen evolution reaction
10.1039/d5ya00022j · 2025 · External reference
Regulating Ru–Ru distance in RuO2 catalyst by lattice hydroxyl for efficient water oxidation
10.1021/acsnano.5c01937 · 2025 · External reference
A Co-Doped nanorod-like RuO2 electrocatalyst with abundant oxygen vacancies for acidic water oxidation
10.1016/j.isci.2019.100756 · 2020 · External reference
MOF-derived RuO2/Co3O4 heterojunctions as highly efficient bifunctional electrocatalysts for HER and OER in alkaline solutions
10.1039/c6ra25810g · 2017 · External reference
Noble Metal/Iron‐Group metal compound composite catalysts: characterization, synthesis, and electrocatalytic application
10.1002/smll.202508616 · 2025 · External reference
Fundamental mechanisms, synthesis strategies and key challenges of transition metal borides for electrocatalytic hydrogen evolution
10.1007/s41918-025-00255-y · 2025 · External reference
Structural and electronic regulation of transition metal borides: from controllable synthesis to industrial alkaline water splitting
10.1016/j.fuel.2025.134283 · 2025 · External reference
Elastic, thermodynamic, electronic, and optical properties of recently discovered superconducting transition metal boride NbRuB: an ab-initio investigation
10.1088/1674-1056/26/10/106201 · 2017 · External reference
Ternary magnesium rhodium boride Mg2Rh1-xB6+2x with a modified Y2ReB6-Type crystal structure
10.1021/ic7004453 · 2007 · External reference
Structure searches and superconductor discovery in XB2 (X = Sc, Ti, V, Cr, and Tc)
10.1039/d3ra08746h · 2024 · External reference
2D-Transition metal borides (MBenes): a comprehensive review of the materials, chemistry, advances, and novel applications
10.1007/s42114-025-01311-3 · 2025 · External reference
Insights to structure stability, elastic properties, fracture toughness, and thermal conductivities of TM7B3 (TM = Tc, Ru, Rh and Re) borides
10.1016/j.jmrt.2025.09.048 · 2025 · External reference
Physical properties of the noncentrosymmetric superconductor Ru7B3
10.1103/physrevb.79.144509 · 2009 · External reference
Impact of spin–orbit coupling on physical properties and superconductivity in noncentrosymmetric superconductors Ru7B3 and Re7B3
10.1016/j.physb.2023.414743 · 2023 · External reference
Discovery of superconductivity in technetium borides at moderate pressures
10.1039/d4cp00191e · 2024 · External reference
Asymmetrically strained hcp rhodium sublattice stabilized by 1D covalent boron chains as an efficient electrocatalyst
10.1039/d1cc00774b · 2021 · External reference
Unresolved reference
2013 · External reference
The optical properties of few-layer MoS2 by DFT calculations
10.1016/j.physe.2023.115813 · 2024 · External reference
Phase stability, mechanical properties and thermal conductivity of technetium diborides in different crystal structures
10.1007/s00339-023-06465-9 · 2023 · External reference
Exploring the electronic, mechanical, anisotropic and optical properties of the Sc-Al-C MAX phases from a first principles calculations
10.1016/j.cplett.2023.141024 · 2024 · External reference
Ab initio study of the electronic, elastic, vibrational and dielectric properties of KBaBi
10.1016/j.jssc.2019.05.017 · 2019 · External reference
Th7Fe3-type related structures in Pd(Pt)-Cu-B systems: Pd6CuB3-A new structure type of borides
10.1002/chem.201602767 · 2017 · External reference
Unresolved reference
2012 · External reference
Crystal phase-dependent electrocatalytic hydrogen evolution performance of ruthenium–boron intermetallics
10.1039/d0cc00070a · 2020 · External reference
Phase stability and physical properties of technetium borides: a first-principles study
10.1016/j.commatsci.2013.09.016 · 2014 · External reference
The composition and structure of technetium nitride and technetium borides
10.1016/0022-5088(64)90106-7 · 1964 · External reference
Borides and silicides of the platinum metals
10.1038/1831318b0 · 1959 · External reference
Synthesis, crystal chemistry and magnetism of the Metal-rich Borides MxRh7–xB3 (M = Cr, Mn, Ni; x = 0.39–1) with Th7Fe3-type structure
2011 · External reference
Elastic, electronic, optical, and thermodynamic properties of M2SeC (M = Hf, Zr) under high pressure
10.1063/5.0136222 · 2023 · External reference
Newly synthesized MAX phase Zr2SeC: DFT insights into physical properties towards possible applications
10.1039/d1ra02345d · 2021 · External reference
Unconventional superconductivity in a strongly correlated band-insulator without doping
10.21468/scipostphyscore.4.2.009 · 2021 · External reference
Ternary boride Hf3PB4: insights into the physical properties of the hardest possible boride MAX phase
10.1016/j.jallcom.2020.158264 · 2021 · External reference
Theoretical prediction on the stability, elastic, electronic and optical properties of MAB-phase M4AlB4 compounds (M = Cr, Mo, W)
10.1039/d3ra06267h · 2024 · External reference
Cyanide depression mechanism for sphalerite flotation separation based on density functional theory calculations and coordination chemistry
10.3390/min12101271 · 2022 · External reference
High pressure mediated physical properties of Hf2AB (A= Pb, Bi) via DFT calculations
2023 · External reference
First-principles calculations to investigate the structural, electronic, optical anisotropy, and bonding properties of a newly synthesized ThRhGe equiatomic ternary intermetallic superconductor
10.1016/j.rinp.2022.106004 · 2022 · External reference
Second coordination sphere regulates nanozyme inhibition to assist early drug discovery
10.1038/s41467-025-58291-7 · 2025 · External reference
First-principles calculations on the electronic structure and bonding nature of TaN(111)/TiN(111) interface
10.1016/j.jallcom.2017.05.033 · 2017 · External reference
First-principles calculations on the structural, elastic and electronic properties of different structural TiN
2025 · External reference
First-principles calculations of the structural, mechanical, electronic, and optical properties of BaX2 (X=O, S, Se and Te) compounds
10.1016/j.mssp.2022.106755 · 2022 · External reference
Optical constants of organic insulators in the UV range extracted from reflection electron energy loss spectra
10.1002/sia.7055 · 2022 · External reference
Electronic, optical, and vibrational properties of B3N3H6 from first-principles calculations
10.1007/s00894-021-04862-6 · 2021 · External reference
Structural, optical and electronic properties of CuO and Zn doped CuO: DFT based first-principles calculations
10.1016/j.chemphys.2019.110536 · 2020 · External reference
High pressure study of new type of MAX phases: Hf2AB2 (A = In, sn)
10.1002/pssb.202200102 · 2023 · External reference
Screen the thermomechanical and optical properties of the new ductile 314 MAX phase boride Zr3CdB4: a DFT insight
10.1016/j.jallcom.2021.160248 · 2021 · External reference
Computational insight into the physical properties of bulk MP (M= Li, Na, K) for energy applications
10.1021/acsomega.4c01116 · 2024 · External reference
Engel-Vosko GGA calculations of the structural, electronic and optical properties of LiYO2
10.1016/j.physb.2017.06.055 · 2017 · External reference
Electromagnetism based atmospheric ice sensing technique-A conceptual review
10.1260/1750-9548.6.4.341 · 2012 · External reference
Exploring the structural, mechanical, dynamical, thermal, electronic, magnetic, and optical properties of monolayer WTe2 compound: first-principles study
10.3126/bibechana.v22i3.76349 · 2025 · External reference
Synthesis, characterization and DFT calculations of electronic and optical properties of CaMoO4
10.1016/j.physb.2016.06.009 · 2016 · External reference
High-performance optoelectronic and thermoelectric properties of transparent conductors based on Tl2O3 under pressure
10.1038/s41598-024-58657-9 · 2024 · External reference
Anisotropy optical properties of KSr2Nb5O15 lead-free ferroelectrics: first-principle calculations
10.1016/j.jpcs.2018.06.022 · 2018 · External reference
Study of the electronic structure and optical properties of rare Earth luminescent materials
2023 · External reference
First principles study of p-Type transition and enhanced optoelectronic properties of g-ZnO based on diverse doping strategies
10.3390/nano14231863 · 2024 · External reference
Magnetron sputtered Cu doped SnS thin films for improved photoelectrochemical and heterojunction solar cells
10.1039/c4ra06219a · 2014 · External reference
Intensity dependent photoconductivity in ZnO nanostructured film
10.21467/anr.1.1.23-30 · 2018 · External reference
The intensity dependence of the steady-state photoconductivity in amorphous semiconductors
10.1088/0022-3719/21/13/017 · 1988 · External reference
Insights into electronic and optical properties of AGdS2 (A= Li, Na, K, Rb and Cs) ternary gadolinium sulfides
10.1016/j.optmat.2021.110963 · 2021 · External reference
Structural properties, electronic structures and optical properties of WB2 with different structures: a theoretical investigation
10.1016/j.ceramint.2018.03.203 · 2018 · External reference
Tuning of the electronic and optical properties of monolayer GaSe via strain
10.1002/adts.202200950 · 2023 · External reference
First-principles study on the elastic, electronic and optical properties of all-inorganic halide perovskite solid solutions of CsPb (Br1−xClx)3 within the virtual crystal approximation
10.1039/d2ra01084d · 2022 · External reference
Electronic, optical and sodium K edge XANES in disodium helide: a DFT study
10.1038/s41598-023-44369-z · 2023 · External reference
A facile approach to determine the unknown refractive index (n) and extinction coefficient (k) of novel encapsulant materials used in back contact PV modules
10.1007/s00339-018-1974-x · 2018 · External reference
Graphene oxide/carbon nanoparticle thin film based IR detector: surface properties and device characterization
10.1063/1.4935042 · 2015 · External reference
First-principles investigations of structural, electronic and optical properties of cubic and tetragonal IrO2
10.1016/j.vacuum.2025.114747 · 2025 · External reference
Insights into electronic and optical properties of CrH hydrides
10.1016/j.vacuum.2023.112492 · 2023 · External reference
Tuning of the electronic and optical properties of monolayer GaSe via strain
10.1002/adts.202200950 · ExternalCitation · doi-reference
Th7Fe3-type related structures in Pd(Pt)-Cu-B systems: Pd6CuB3-A new structure type of borides
10.1002/chem.201602767 · ExternalCitation · doi-reference
Atomic heterointerface engineering of nickel selenide confined nickel molybdenum nitride for high‐performance solar‐driven water splitting
10.1002/eem2.12526 · ExternalCitation · doi-reference
High pressure study of new type of MAX phases: Hf2AB2 (A = In, sn)
10.1002/pssb.202200102 · ExternalCitation · doi-reference
Optical constants of organic insulators in the UV range extracted from reflection electron energy loss spectra
10.1002/sia.7055 · ExternalCitation · doi-reference
Noble Metal/Iron‐Group metal compound composite catalysts: characterization, synthesis, and electrocatalytic application
10.1002/smll.202508616 · ExternalCitation · doi-reference
A facile approach to determine the unknown refractive index (n) and extinction coefficient (k) of novel encapsulant materials used in back contact PV modules
10.1007/s00339-018-1974-x · ExternalCitation · doi-reference
Phase stability, mechanical properties and thermal conductivity of technetium diborides in different crystal structures
10.1007/s00339-023-06465-9 · ExternalCitation · doi-reference
Electronic, optical, and vibrational properties of B3N3H6 from first-principles calculations
10.1007/s00894-021-04862-6 · ExternalCitation · doi-reference
Fundamental mechanisms, synthesis strategies and key challenges of transition metal borides for electrocatalytic hydrogen evolution
10.1007/s41918-025-00255-y · ExternalCitation · doi-reference
2D-Transition metal borides (MBenes): a comprehensive review of the materials, chemistry, advances, and novel applications
10.1007/s42114-025-01311-3 · ExternalCitation · doi-reference
The composition and structure of technetium nitride and technetium borides
10.1016/0022-5088(64)90106-7 · ExternalCitation · doi-reference
Structural properties, electronic structures and optical properties of WB2 with different structures: a theoretical investigation
10.1016/j.ceramint.2018.03.203 · ExternalCitation · doi-reference
Structural, optical and electronic properties of CuO and Zn doped CuO: DFT based first-principles calculations
10.1016/j.chemphys.2019.110536 · ExternalCitation · doi-reference
Phase stability and physical properties of technetium borides: a first-principles study
10.1016/j.commatsci.2013.09.016 · ExternalCitation · doi-reference
Exploring the electronic, mechanical, anisotropic and optical properties of the Sc-Al-C MAX phases from a first principles calculations
10.1016/j.cplett.2023.141024 · ExternalCitation · doi-reference
Structural and electronic regulation of transition metal borides: from controllable synthesis to industrial alkaline water splitting
10.1016/j.fuel.2025.134283 · ExternalCitation · doi-reference
A Co-Doped nanorod-like RuO2 electrocatalyst with abundant oxygen vacancies for acidic water oxidation
10.1016/j.isci.2019.100756 · ExternalCitation · doi-reference
First-principles calculations on the electronic structure and bonding nature of TaN(111)/TiN(111) interface
10.1016/j.jallcom.2017.05.033 · ExternalCitation · doi-reference
Ternary boride Hf3PB4: insights into the physical properties of the hardest possible boride MAX phase
10.1016/j.jallcom.2020.158264 · ExternalCitation · doi-reference
Screen the thermomechanical and optical properties of the new ductile 314 MAX phase boride Zr3CdB4: a DFT insight
10.1016/j.jallcom.2021.160248 · ExternalCitation · doi-reference
Insights to structure stability, elastic properties, fracture toughness, and thermal conductivities of TM7B3 (TM = Tc, Ru, Rh and Re) borides
10.1016/j.jmrt.2025.09.048 · ExternalCitation · doi-reference
Anisotropy optical properties of KSr2Nb5O15 lead-free ferroelectrics: first-principle calculations
10.1016/j.jpcs.2018.06.022 · ExternalCitation · doi-reference
Ab initio study of the electronic, elastic, vibrational and dielectric properties of KBaBi
10.1016/j.jssc.2019.05.017 · ExternalCitation · doi-reference
First-principles calculations of the structural, mechanical, electronic, and optical properties of BaX2 (X=O, S, Se and Te) compounds
10.1016/j.mssp.2022.106755 · ExternalCitation · doi-reference
Insights into electronic and optical properties of AGdS2 (A= Li, Na, K, Rb and Cs) ternary gadolinium sulfides
10.1016/j.optmat.2021.110963 · ExternalCitation · doi-reference
Synthesis, characterization and DFT calculations of electronic and optical properties of CaMoO4
10.1016/j.physb.2016.06.009 · ExternalCitation · doi-reference
Engel-Vosko GGA calculations of the structural, electronic and optical properties of LiYO2
10.1016/j.physb.2017.06.055 · ExternalCitation · doi-reference
Impact of spin–orbit coupling on physical properties and superconductivity in noncentrosymmetric superconductors Ru7B3 and Re7B3
10.1016/j.physb.2023.414743 · ExternalCitation · doi-reference
The optical properties of few-layer MoS2 by DFT calculations
10.1016/j.physe.2023.115813 · ExternalCitation · doi-reference
First-principles calculations to investigate the structural, electronic, optical anisotropy, and bonding properties of a newly synthesized ThRhGe equiatomic ternary intermetallic superconductor
10.1016/j.rinp.2022.106004 · ExternalCitation · doi-reference
Insights into electronic and optical properties of CrH hydrides
10.1016/j.vacuum.2023.112492 · ExternalCitation · doi-reference
First-principles investigations of structural, electronic and optical properties of cubic and tetragonal IrO2
10.1016/j.vacuum.2025.114747 · ExternalCitation · doi-reference
Solar-driven hydrogen production: recent advances, challenges, and future perspectives
10.1021/acsenergylett.1c02591 · ExternalCitation · doi-reference
Regulating Ru–Ru distance in RuO2 catalyst by lattice hydroxyl for efficient water oxidation
10.1021/acsnano.5c01937 · ExternalCitation · doi-reference
Computational insight into the physical properties of bulk MP (M= Li, Na, K) for energy applications
10.1021/acsomega.4c01116 · ExternalCitation · doi-reference
Ternary magnesium rhodium boride Mg2Rh1-xB6+2x with a modified Y2ReB6-Type crystal structure
10.1021/ic7004453 · ExternalCitation · doi-reference
Borides and silicides of the platinum metals
10.1038/1831318b0 · ExternalCitation · doi-reference
Second coordination sphere regulates nanozyme inhibition to assist early drug discovery
10.1038/s41467-025-58291-7 · ExternalCitation · doi-reference
Electronic, optical and sodium K edge XANES in disodium helide: a DFT study
10.1038/s41598-023-44369-z · ExternalCitation · doi-reference
High-performance optoelectronic and thermoelectric properties of transparent conductors based on Tl2O3 under pressure
10.1038/s41598-024-58657-9 · ExternalCitation · doi-reference
Magnetron sputtered Cu doped SnS thin films for improved photoelectrochemical and heterojunction solar cells
10.1039/c4ra06219a · ExternalCitation · doi-reference
MOF-derived RuO2/Co3O4 heterojunctions as highly efficient bifunctional electrocatalysts for HER and OER in alkaline solutions
10.1039/c6ra25810g · ExternalCitation · doi-reference
Crystal phase-dependent electrocatalytic hydrogen evolution performance of ruthenium–boron intermetallics
10.1039/d0cc00070a · ExternalCitation · doi-reference
Designing transition-metal-boride-based electrocatalysts for applications in electrochemical water splitting
10.1039/d0nr01279c · ExternalCitation · doi-reference
Asymmetrically strained hcp rhodium sublattice stabilized by 1D covalent boron chains as an efficient electrocatalyst
10.1039/d1cc00774b · ExternalCitation · doi-reference
Newly synthesized MAX phase Zr2SeC: DFT insights into physical properties towards possible applications
10.1039/d1ra02345d · ExternalCitation · doi-reference
First-principles study on the elastic, electronic and optical properties of all-inorganic halide perovskite solid solutions of CsPb (Br1−xClx)3 within the virtual crystal approximation
10.1039/d2ra01084d · ExternalCitation · doi-reference
Theoretical prediction on the stability, elastic, electronic and optical properties of MAB-phase M4AlB4 compounds (M = Cr, Mo, W)
10.1039/d3ra06267h · ExternalCitation · doi-reference
Structure searches and superconductor discovery in XB2 (X = Sc, Ti, V, Cr, and Tc)
10.1039/d3ra08746h · ExternalCitation · doi-reference
Discovery of superconductivity in technetium borides at moderate pressures
10.1039/d4cp00191e · ExternalCitation · doi-reference
Interface engineering strategies for enhanced electrocatalytic hydrogen evolution reaction
10.1039/d5ya00022j · ExternalCitation · doi-reference
Graphene oxide/carbon nanoparticle thin film based IR detector: surface properties and device characterization
10.1063/1.4935042 · ExternalCitation · doi-reference
Elastic, electronic, optical, and thermodynamic properties of M2SeC (M = Hf, Zr) under high pressure
10.1063/5.0136222 · ExternalCitation · doi-reference
The intensity dependence of the steady-state photoconductivity in amorphous semiconductors
10.1088/0022-3719/21/13/017 · ExternalCitation · doi-reference
Elastic, thermodynamic, electronic, and optical properties of recently discovered superconducting transition metal boride NbRuB: an ab-initio investigation
10.1088/1674-1056/26/10/106201 · ExternalCitation · doi-reference
Physical properties of the noncentrosymmetric superconductor Ru7B3
10.1103/physrevb.79.144509 · ExternalCitation · doi-reference
Electromagnetism based atmospheric ice sensing technique-A conceptual review
10.1260/1750-9548.6.4.341 · ExternalCitation · doi-reference
Intensity dependent photoconductivity in ZnO nanostructured film
10.21467/anr.1.1.23-30 · ExternalCitation · doi-reference
Unconventional superconductivity in a strongly correlated band-insulator without doping
10.21468/scipostphyscore.4.2.009 · ExternalCitation · doi-reference
Exploring the structural, mechanical, dynamical, thermal, electronic, magnetic, and optical properties of monolayer WTe2 compound: first-principles study
10.3126/bibechana.v22i3.76349 · ExternalCitation · doi-reference
Cyanide depression mechanism for sphalerite flotation separation based on density functional theory calculations and coordination chemistry
10.3390/min12101271 · ExternalCitation · doi-reference
First principles study of p-Type transition and enhanced optoelectronic properties of g-ZnO based on diverse doping strategies
10.3390/nano14231863 · ExternalCitation · doi-reference
