Solid State Communications

Article	Citations
Rigidity of dipolar coupled H2O molecular network in external electric field	139
First-principles prediction of moiré ultra-flat bands in twisted bilayer nitrogene	85
A low-field electron mobility analysis of cubic boron nitride	61
Au nanoparticles and reduced graphene oxide based plasmonic photodetector with enhanced performance in visible spectral region	60
A magnetoelectric nanocomposite based on two dimensional Cr2O3 and CoFe2O4	60
Arguments on the estimation of V ion distribution at various sites contributing to saturation magnetization in Mn–Zn ferrites	58
Electronic, magnetic, mechanical and optical properties of CoCrZrAl and RuCrZrGa quaternary Heusler alloys	58
Quantum ferromagnetism in transition metals doped II-VI semiconductors for spintronic applications: A merging technology	52
Effect of hydrostatic pressure on the Néel temperature of Ru2MnZ (Z = Si, Ge, Sn)	51
Exploring Penta-BCN nanosheet as a promising anode material for rechargeable Mg-ion batteries: A computational study	45
Observation of weak Kondo effect and angle dependent magnetoresistance in layered antiferromagnetic V45
Ab-initio calculations of the structural, electronic, magnetic, and optical properties of silicene substitutionally and interstitially doped with Zr, Nb, and Mo	44
Enhanced the efficiency and current density by structural modifications and conduction band shifting in lead-based mixed halide perovskite solar cells	41
Corrigendum to “Effect of self-interaction corrections (SIC) on physical properties of small Al, Ag and Ni nanoparticles” [Solid State Commun. 371 (2023) 115278]	41
Thiosulfate ion degradation on gold (111) surface: A DFT study	40
Effects of titanium and carbon on cohesion property and brittleness of grain boundary of molybdenum	39
Copper valence control enables stable lead-free Cs3Cu2Cl5 for white light-emitting diodes	36
Crystal structural prediction of perovskite materials using machine learning: A comparative study	35
First-principles study of perovskite hydrides AAgH3 (A= Li Na, K, Rb, and Cs) as emerging materials for hydrogen storage applications	35
Polypyrrole, Zinc oxide, and Nickel oxide ternary nanocomposite: Synthesis, characterization, and photocatalytic activity on methylene blue, and methyl orange dye	33
Magnetic and magnetocaloric dynamics in A33
Calculation of Debye temperature and Grüneisen parameter at low temperatures	33
Application of the energy transfer mechanism of Ag+/Mn2+ co-doped NaBa(PO3)3 glass for the enhancement of the red emission	32
Performance enhancement of blue organic light-emitting devices by inserting BPhen: Alq3 as an n-doping electron transport layer	32
Study of spin-phonon interaction in multiferroic La0.9Bi0.1CrO3 by Raman spectroscopy	32

The effect of different Cu solute content and cooling rate on the microstructure and properties of Al-Cu alloy	31
Exploring Rb2YCuCl6 and Cs2YCuCl6 double perovskites: Structural, electronic, optical, elastic, and thermoelectric properties via density functional theory	29
Low hydrogen coverage Z	29
Effect of heavy metal atom doping in black phosphorene from first-principles calculations	29
First-principles investigation on the mechanical, dynamical and thermodynamic properties of some B12-based compounds under hydrostatic pressure	29
Surface-disorder and cationic-site defect-induced ferromagnetism and correlated Raman vibrational modes in Sn0.9 In0.1O2 nanocrystalline thin-films	28
Performance enhancement of CZTS-based solar cells with tungsten disulfide as a new buffer layer	28
Anisotropic transport modulation in Bismuthene-based FETs: An ab-initio study	27
The influence of nitrogen proportion on the mechanical property of Fe–Ni alloy at extreme pressure	27
Structure-search-revealed edge reconstruction in two-dimensional materials: The case of phosphorene nanoribbons	26
Investigation of TiO2 as photoanode for solar cell application	26
Analytic expressions for topologically protected edge states in Su–Schrieffer–Heeger model	25
Innovative preparation of α-LiFeO2 using spent LiFePO4 and Na2CO3 by ball milling-assisted roasting–water leaching method	25
Microstructure modification in Ba-doped SnO2-based ceramics with promising thermal conductivity and electrical properties	25
Superconductivity of metallic graphene	25
Inverse isosbestic point in transverse magnetoresistance of Ce	25
Effect of electron energy on ice rules	25
Electronic structure, phonons, and born effective charges in CuLaO2: A first-principles study	24
Simple analytical expressions for the elastic energy and pressure for solids under extreme zero-temperature volumetric compression	24
Theoretical investigation of size and shape dependent melting temperature of transition metal clusters	24
Stable nitrogen-rich yttrium nitrides under high pressure	24
High performance lead-free Na0.5Bi0.5Ti0.4Mn0.1O3-BaTi0.4Sn0.1O3 ceramics: Enhanced ferroelectric, dielectric, and pyroelectric properties via NaNbO3 incorporation	23
Strengthening mechanisms and deformation behavior of Au/Ag bilayer using nanoindentation	23
Enhanced energy-storage performance in AgNbO3-based lead-free antiferroelectrics via relaxor ferroelectric subsitution	22
Crystallographic and photoluminescent features of Dy3+- activated Ca8ZnBi(VO4)7 nanosample produced by combustion for use in advanced solid - state lighting and latent fingerprinting applications	22
Role of Fullerene ICxA and Non-fullerene Y6 in P3HT-based Ternary Organic Photovoltaics	22
NiFe-LDH/co/C@NF composite electrocatalyst with enhanced oxygen evolution reaction performance	22
Effects of Co/CoNi ratio on elemental occupancy tendencies and lattice misfit of γ/γ′ phases in precipitation-strengthened alloys	22
Adsorption, sensing, electronic and magnetic properties of phosgene (COCl2) molecule adsorbed on Nb-doped arsenene: First-principles study	22
Yttrium nitride MXenes nanosheets (Yn+1Nn; n=1, 2, 3): Structural stability, electronic, and phonon properties from ab-initio calculations	22
Compensation temperatures and superparamagnetism phenomenon of a mixed spin square type Blume-Capel Ising nanowire	22
Analysis of temperature-dependent EXAFS Debye-Waller factor of semiconductors with diamond crystal structure	21
Martensitic transformation and magnetocaloric effect of Cr-doped Mn–Ni–Fe–Ti all-d-metal Heusler alloys near room temperature	21
Another method to calculate grain size distribution parameters: Using Ising model and particle swarm optimization algorithm	21
Predicting the glass transition temperature of norfullerene acceptor dyes by ensemble machine learning approach from their data driven approaches	21
Strain-dependent doping and optical absorption in Al-doped graphene-like ZnO monolayer	21
Bio-synthesized ZnO in cesium based perovskite solar cells: A pathway to sustainable high efficiency	21
Improved energy storage performance of BST‒BNT ceramics via composition modification	20
High-performance 405-nm photodetector based on the defect-induced absorption in the rutile GeO2 film	20
First-principles analysis of the optical, elastic, and thermoelectric properties of Mg2ZnAs2	20
Tuning electronic and thermoelectric properties of armchair graphene nanoribbon in the presence of electron phonon coupling	20
Enhanced gas sensing performance of Janus-type WSeTe monolayers: A first-principles study	20
Influence of Mg+2 on the structure, microstructure, and magnetic interactions of zinc ferrite nanoparticles synthesized via co-precipitation route	20
Revealing the remarkably improved structural, phonon, elastic, optoelectronic and thermoelectric properties of TlXF3(X	20
Oxygen vacancy diffusion and dynamics in Gd-doped CeO2: A GGA+U study	19
Gapless states and current control in strongly distorted gated trilayer graphene	19
The structural, electronic, and mechanical properties of FeH under extreme pressures: First-principles calculation	19
Evidence of structural modulations induced by a charge density wave transition in orthorhombic Sm2Ru3Ge5	19
Evidence of half metal to insulator transition and subsequent photocatalytic action in g-C4N3@Lin =1 to 4: A systematic theoretical analysis	19
Thickness-dependent piezoelecticity of black arsenic from few-layer to monolayer	19

Pd6C32: A pentagonal icositetrahedron molecule	18
Luminescence in CaSiO3:Eu crystals at high levels of optical excitation	18
Energetic stability, structural, electronic, and optical properties of	18
Theoretical analysis on vibration reduction characteristics of a novel phononic-like crystal plate structure	18
Transformation strain and volume effect associated with martensitic transformation in polycrystalline Ni49++Mn23-Ga28- Heusler alloys	18
A first-principles study on the potential of MAB2 (M=Nb, ta; A=Co, Ni) ternary borides as friction-resistance cermet	18
Zero-energy states in graphene quantum dot with wedge disclination	18
Study of the electrical and structural homogeneity of ultrathin HfO2 films grown by reactive sputtering	18
Effect of surface cations on the CO2 capture performance of montmorillonite	17
Unraveling the structural and mechanical stability, electronic, and optical properties of (LaxSr1-xVO3)n (n =1, 2; x = 0, 0.5, 1)	17
Effect of Se substitution on thermal transport properties of spinel CuIr2(S1-Se )4	17
Electrical behavior of Na1-xKxNbO3 ceramics (0.25 ≤ x ≤ 0.35) and high-temperature phase transitions	17
Effect of stacking mode on electronic structure and optical properties of bilayer germanene	17
Extraction of the energy distribution of traps in organic semiconductor based on diffusion-trapping model under the framework of admittance spectroscopy	17
Structural and electronic properties of the silver-silicon interfaces: A density functional theory study	17
First-principles study of K, Ni and P doped superconductor AFe2As2 (A=Ba, Sr)	17
Investigation of type-II Ga(As)Sb/GaAs quantum dots embedded in an InGaAs quantum well for solar cell applications	17
Machine learning incorporating stability features and Bayesian Optimization for perovskite structure prediction	16
Enhancing the photovoltaic potential of lead-free CsSnCl	16
Application of thiol capped ZnS quantum dots as a fluorescence probe for determination of tetracycline residues	16
Thermoelectric properties of ductile Ag2S0.7Te0.3 prepared via zone melting method	15
Elaboration and characterization of ZnSnO3 thin films for enhanced photocatalytic performance and surface wettability	15
Investigation on the room temperature compressive creep behavior of TC4 titanium alloy joints with vacuum electron beam welding	15
Aqueous synthesis and optical study of undoped and Gd-doped ZnS semiconductor nanoparticles (Zn1-3xGd2xS): Environmental toxicity assessment	15
Exploring vitrification with LiCoO2 cathode-active material and P2O5 as glass forming reagent	15
First-principles study of KVTe half-Heusler alloy for spintronic and thermoelectric applications	15
Doping effect of Fe, Co and W on the structural, electrical and magnetic properties of BaTiO3 ferroelectric ceramics	15
Structural and photoluminescence studies of LaNbO4:Er3+ phosphors synthesized via citric based sol-gel route for WLED applications	15
Photocatalytic property of GeI2 nanotubes for hydrogen evolution via water splitting: density functional theory calculations	15
Cs/O, Cs/NF3, and Cs/Li/NF3 coadsorption on GaAs0.5P0.5 (001) β2(2×4) reconstruction surface: A first principle study	14
DFT calculations on physical properties of the lead-free halide-based double perovskite compound Cs2CdZnCl6	14
Quantum well formation in AgBr for holes in the region of volumetric charge of intrinsic defects	14
A computational first principles investigation on the structural, elastic, electronic and optical characteristics of the ternary alloys ScxLu1-xN	14
Ferrimagnetism and hysteresis behavior of a mixed spin ferrimagnetic Blume-Capel Ising system	14
The lock-on effect and collapsing bipolar Gunn domains in high-voltage GaAs avalanche p-n junction diode	14
Stimulated Raman blockade in coherent phonon generation	14
First-principles study on the electronic structures and optical properties of Cs2XInCl6 (X= Ag, Na)	14
Optical and electronic properties of defect chalcopyrite ZnGa2Se4: Experimental and theoretical investigations	14
Optical properties of InI3: Density functional theory calculations and experimental results	14
Enhancement of superconductivity in multilayer FeSe film by Nb coating	13
Iron(II)-induced defect luminescence and deconvolution of ferromagnetic and paramagnetic behaviour in Zn(1-x)FexO (x = 0.01, 0.03, 0.05) nanoparticles	13
Polarizability of a Wigner crystal	13
Effect of sintering temperature on multiferroic properties of Mg-doped Bismuth Ferrite	13
A comparative study of the thermodynamic properties related to impurity types in a two-dimensional Gaussian quantum dot	13
Investigations of structural and thermoelectric properties of Cu2Se and Cu2-xAgxSe alloys	13
Dynamic and tunable ultra-narrowband terahertz absorber with the phase transition characteristics of VO2	13
Diisopropylammonium-halide (dipaHal) ferroelectric molecular crystals: Prospects, developments and controversies	13
Analyzing the link between critical phenomena and magnetocaloric effect in Gd52Fe28B20	13
Influence of pressure on the different physical features of lead-free double perovskite materials K2SnX6 (X = Cl, and Br): DFT replication	13
Magnetocaloric effect in Gd-Sc solid solutions	13
Complex temperature-dependent electrical and magneto-transport properties in layered semiconductor Nb2SiTe4 crystals	13
Electric field enhancement effect on Raman spectra in two-dimensional MoSi<	13
Theoretical studies on opto-electronic properties of Congo red dye based dye-sensitized solar cells	13
Investigation on the structure-property relationships and corrosion behavior of Mg-containing phases in Zn-modified Al-Mg alloys	13
Changes in crystal structure and resistivity of deformed germanium by high-pressure torsion	12
Spin-polarized photogalvanic effect in Si9C15 induced by C vacancies	12
The compatible design of wave controlling metamaterial with multi-layers	12
Electronic and optical properties of the recently synthesized 2D Vivianites (Vivianenes): Insights from first-principles calculations	12
Atomistic insights into the effect of cooling rates on mechanical properties of glassy graphene	12
Investigation of superconductivity in ultrahigh pressure phases of yttrium	12
Synthesis and bifunctional electrochemical performance of Y2O3/MWCNT nanocomposites for supercapacitor and water splitting applications	12
Phase transitions in chiral ferromagnets with topological features of electronic structure (on the example of MnSi)	12
Arsenic-doped HgCdTe: FTIR photoluminescence and photoreflectance spectroscopy study	12
The stability, electronic and optical properties of nonmetal doped g-GaN: A first-principles calculation	12
Investigating the effect of position-dependent effective mass on the valence-band electronic states of GaAs/GaAsSb/GaAs parabolic quantum wells modulated by intense laser fields	12
Dielectric relaxation and electrical conductivity in lead-free organic ferroelectric diisopropylammonium bromide (dipaBr)	12
Plasma chemical synthesis of magnetic Fe2O3-Ni-Cr layered double hydroxide composites for environmental applications	12
The physical mechanism underpinning superfast switching of GaAs S-diode	12
Influence of strain rate on the compressive behavior of heterogeneous Cu/Ta multilayer: A molecular dynamics simulation study	11
Bi, Cr and Ag dopants in PbTe and SnTe: Impact of the host band symmetry on doping properties by ab initio calculations	11
Effect of holmium (Ho) and (Ho, Mn) co-substitution on the magnetic and magnetoelectric properties of bismuth ferrites	11
Stress-induced fluorescence in diamond at ultrahigh pressures and low temperatures	11
Effects of biaxial strain on thermal conductivity of novel puckered C2N2 monolayer: A first-principles study	11
Collective neutral excitations as sensitive probe for the quality of 2D charge carrier systems in ultra-pure GaAs quantum wells	11
Pressure-induced phase transitions of ZrAl2 from first-principles calculations	11
First-principles study of the effects of Hf doping and different valence state O vacancies on the optoelectronic properties of SnO2	11
Enhancing the efficiency of SnS-based solar cells using a GLAD technique and CZTSSe layer	11
Fullerene C70: electronic structure and optical absorption	11
Unified EOS incorporating the finite strain theory for explaining thermo elastic properties of high temperature superconductors, nanomaterials and bulk metallic glasses	11
DFT-driven insights into the structural, mechanical, electronic, optical, and thermoelectric properties of Ba2XRhO6 (X=Ta, V) double perovskites	11

Electrical resistivity and magnetoresistance of Sr3Fe2+Mo1–O9–3/2 (x = 0.45, 0.60, and 1.00) prepared by the solid-state reaction	11
Growth and functional characterization of piperazinium bis(sulfamate) single crystals for nonlinear optical and optoelectronic applications	11
Pressure action on ductility and optoelectronic properties of non-toxic AGeBr	11
Tunable plasmonic and structural properties of SnO2: Au thin films deposited via GLAD-enhanced DC Sputtering	11
Stress-induced pseudoelasticity in freestanding Cu–Al–Ni thin film by AFM-assisted nanoindentation	10
Thermal, optoelectronic and thermoelectric properties of inorganic double perovskites semiconductors Cs2(Sn, Pt, Te)I6 for application as intermediate-band solar cells	10
Theoretical simulation of optoelectronic and structural properties of ASiN2 (A = Be, Mg, Ca, Sr) semiconductors	10
The influence of different carbon doping concentrations on the thermoelectric properties of GaN: A first-principles investigation	10
Influence of Ce3+ doping on the structural and optical properties of nickel ferrite thin films	10
Dipole modification of the surface electronic structure of III–V semiconductors	10
Low-temperature transport in the XY chain with staggered Dzyaloshinskii–Moriya interaction	10
Comparative SCAPS-1D simulation of Cs2SnI6 and graded CsSnI3/ Cs2SnI6 dual absorbers for enhanced performance of lead-free perovskite solar cells	10
Effect of molar concentration on the structural, linear and nonlinear optical properties of CuS (covellite) thin films	10
Study of Andreev reflection in topological insulator-based ferromagnet/ d	10
Significant phonon assignments in multiferroic BiFeO3 single crystal	10
Off-resonant photoluminescence spectroscopy of high-optical quality single photon emitters in GaN	10
Two-dimensional pentagonal CrSSe monolayer: A fully spin-polarized semiconductor with electrically tunable Curie temperature	10
Strain engineering on structural, optoelectronic and photocatalytic properties of BP, BAs and BSb monolayers	10
Investigating storage capacity in optically active perovskite type hydrides XCaH3 (X: Na, Li and Cs) for sustainable hydrogen storage application	10
First principles study of the role of C in tuning the band gap of Al, Si-doped SrTiO3 to enhance photocatalytic activity	10
One-step synthesis of dual-functional PEI/SiO2 nanoparticles for simultaneous Cu(II) ion adsorption and fluorescence sensing	10
First-principles study on electronic properties of different activation mechanisms on AlGaN nanowire photocathodes surface	10
Anisotropic Andreev reflections in the three dimensional nodal-line semimetals-superconductor system	10
Thermodynamic properties of the two-dimensional Heisenberg antiferromagnetic model on kagome lattice	9
Theoretical study of electronic, thermoelectric and optical properties of quaternary Heusler alloys FeRuTiSi and FeRuTiGe	9
MoS2 blended MWCNT hybrid nanocomposites and its enhanced super capacitive features	9
Advancements in lithium zinc phosphate (LZP) nanoparticles: Enhanced electrochemical performance for high-efficiency supercapacitors	9
A DFT theoretical prediction of new half-metallic ferromagnetism, mechanical stability, optoelectronic and thermoelectric properties of ZnCrO3 perovskites for spintronic applications	9
Photovoltaic properties of alkali metal X (X=Li, Na, K, Rb, Cs) doped defective molybdenum diselenide structures: First principles study	9
The impact of Si and Cu doping upon the sensing capability of BN nano-tube in detecting diazomethane	9
A DFT study of the CaMg2As2 material for photovoltaic applications	9
Electrical, structural and photovoltaic properties of acceptor dye modified Au/n-Ge heterostructure	9
First-principles predictions of stable structure of AuAl2 under high pressure	9
Investigation of W/Mo co-doping with multiple concentrations in photocatalyst BiVO4 by first-principles calculations	9
First principle analysis of the structural, electrical and thermoelectric properties of YTe (Y Si, pb, sn, ge) and PbX (X=O, S, se, te) nano-layers	9
Impact of evolution of structural defects on the ferromagnetic and electrical properties of laser deposited Indium-doped SnO2 thin films	9
FP-LAPW calculations of the structural, and optoelectronic properties of vanadium silicide compound for optoelectronic applications	9
Analysis and investigation of vibration attenuation characteristics in novel solid-waste-based phononic crystal materials	9
Structural stability, electronic structure and optical properties of alkali-metal-based yttrium selenides AYSe2: A first-principles study	9
Temperature and inhomogeneous background affect plasmons in four-layer graphene structures	9
First principle investigation of NO2 gas molecule on PtSe2 nanoribbons for nanosensor applications: Insights from DFT and AIMD study	9
Investigation of structural, mechanical, optoelectronic and thermoelectric features of Rb2Na1-xBxScI6 (B = Cu and Ag; x = 0, 0.25), for renewable energy applications	9
Effect of A-site doping on the crystallinity and electrochemical performance of LaMnO3 perovskites	9
Cubic-phase NaYF4:Pr3+, Yb3+ down-conversion phosphors for optical temperature sensing	9
Investigation of magnetocaloric effect of Dy2	9
Tuning the electronic and thermoelectric properties of selenium monolayers through atomic impurities: A DFT study	9
Corrigendum to “Metal doping in topological insulators- a key for tunable generation of terahertz” [Solid State Commun. 319 (2020) 114005]	8
Data-driven design of polar organic semiconductors: A terminal group engineering approach	8
Exploring the Multifunctionality of Nd0.5Ba0.5FeO3: A computational study on structural, electronic, magnetic, and optical properties	8
A single electrode comparison of Ni & Cu MOF for supercapacitor applications	8
Study on the structural, dielectric and thermal degradation of poly (methyl methacrylate)-ZnO nanocomposites	8
Enhancing the efficiency of HTL-free tin-based perovskite solar cells by the gradient structure designed with SCAPS-1D	8
Anharmonic lattice dynamics and structural phase transition of α-AlF3	8
Performance analysis of LaFeO3 perovskite solar cells: A theoretical and experimental study	8
Structural, vibrational, and magnetic study in Mg-doped NiO nanoparticles	8
A new method for improving the stability of high temperature piezoelectric properties in BiFeO3–BaTiO3 ceramics by regulating the relaxor transition	8
First-principles investigation of novel gold-based halide perovskites SrAuX3 (X = Cl, Br) for optoelectronic and thermoelectric applications	8
Discrete element investigation of the mobility of granular mass flows	8
Theoretical investigation of Sr2TmWO6 (Tm=Cr, Fe, and Co): Analyzing structural, mechanical, optoelectronic and thermoelectric properties for enhanced spintronic and thermoelectric applications	8
p-CuI/n-ZnO heterojunction for enhanced dye degradation in water treatment	8
Electronic and crystal structures of α- and β- gold selenides	8
Pairing interactions in the normal band induced by the superconducting band within two-band model	8
Exploring the structural, electronic, magnetic and optical properties of Spin-Gapless Semiconducting CoFeTaZ(Z = Si, Ge and Sn) alloys for spin-optoelectronic applications	8
Tailored bandgap grading in CsSnI3-xBrx all inorganic perovskite solar cells with 2D MXene electrodes: A path to high-efficiency photovoltaics	8
Fabrication of hybrid graphene nanosheets / Vanadium(V) oxide nanoparticles composite electrodes for supercapacitor application	8
Deep Neural Network-Based prediction of electronic and optical properties in CdSe/CdS quantum wells	8
Optical properties of near infrared persistent phosphor CaZnGe2O6: Cr3+, M3+ (M3+ = B3+; Al3+; Ga3+)	8
Electrically detected electron nuclear double resonance in amorphous hydrogenated boron thin films	8
First-principle study of the effects of Ni doping and point vacancy on the magnetic and absorption spectrum and itinerant electron properties of ZnO	8
Electronic structure of excited states in carbon monoxide	8
A co-design strategy for chalcogenide perovskite solar cells: Synergistic bandgap grading and interface optimization	8
Numerical investigation on optical properties of SnO2 by co-doping with Al and N	8
Electronic structure and optical properties of LiNbO3 crystal doped with Zn, Fe, and Cu: a first-principles calculation	8
Lindemann ratio for classical and quantum crystals	8
Pursuit of stability, electronic and thermoelectric properties of novel PdVGa half heusler compound	8
Research on carbon "cap" induced self-assembly behavior	8
Ionic radius effect on the evolution of the griffiths phase and the magnetocaloric response at low temperature of A2Mn2O7 (A: Fe, Al and La)	8
Investigation of anharmonic EXAFS parameters of Ag using anharmonic correlated Debye model under the effect of thermal disorders	8
Magnetocaloric effect and critical exponents at near room temperature of CrTe	8
Raman study of apatite coating, obtained by detonation spraying of the precursor salts on the titanium substrates	8
Stability, electronic and optical properties of buckled XO (X = Ge, Cu) graphenylene monolayers: A first-principles study	8
A first principles study of the oxygen reduction reaction mechanism on porous Ag and Ag-TM nanostructure	8
Rb2PtX6 (X=I, Br, Cl) vacancy-ordered double perovskites: Effect of halogens on the structural, electronic, and optical properties	8
Structural, electronic, and optical properties of polymorphic phases of the LiBaPO4 compound	8
Theoretical investigations of electronic structure, magnetic and optical properties of CdS-X (X= Sm, La, Ce) materials for optoelectronic applications	8
Sensing properties of SF6 decomposition gas sensor based on Ru modified α-AsP: A DFT study	8
Design of a novel eco-friendly bismuth-based solar cell by first-principles calculation and device simulation	8
Engineering NiO–Nb2O5 composite electron transport layers to suppress recombination in perovskite solar cells	8
Retraction notice to “Investigation of crotonaldehyde adsorption on pure and Pd-decorated GaN nanotubes: A density functional theory study” [Solid State Commun. 348–349, (2022) 114741]	8
Theoretical study of intrinsic ferromagnetic to antiferromagnetic switching in two-dimensional Fe/CoCl2 monolayers encapsulated in UiO–67 MOF via edge termination	8
Investigation of the physical and superconductivity properties of Ni	8
Excitonic and magneto-optical effects in Kagome monolayer Nb3X8 (X= Cl, Br, and I)	8
Exploring the impact of Cl and Br doping on the key physical properties of CsTaO3 for optoelectronic and thermoelectric applications	8
Influence of Mn doping on magneto-thermoelectric properties of spintronic material ZnMnxSn1-xAs2	8
Rectified electrical transport and self-powered photoresponse in ZnTe/WS2 heterostructures	7