Journal of Physics and Chemistry of Solids

Article	Citations
The design of praseodymium galena nanospheres: An effective photocatalyst for the remediation of carcinogenic phenothiazine and chromium contaminants	234
Estimation of delafossite p-type CuGaO2/ZnO hybrids as semiconductor photocatalyst by controlling particle size	177
First-principles prediction on Ag3SbS4 as a photovoltaic absorber	157
Enhancing oxygen reduction reaction activity of ε-MnO2 nanoparticles via iron doping	144
Correlation between carrier mobility and effective mass in Sr2RuO4–xFx (x = 2) under uniaxial strain using the Yukawa screened PBE0 hybrid functional	130
First-principles study of elastic, electronic and optical properties of Rb1-xCsxMgH3 and Cs1-yRbyMgH3 perovskite hybrides	117
Photocatalytic degradation of organic pollutants under visible light using lead-free all-inorganic halide perovskites A3Bi2Cl9 (A = Cs, Rb)	115
The effect of CuO crystallite size on the structure and performance of CuZnAl catalyst for mixed alcohols synthesis from syngas	98
Crystal structure and Cu/Fe K-edge analysis of Ba0.5Sr0.5Fe1-xCuxO3-δ (x = 0–0.2) and the influence on conductivity	91
In-situ synthesis of Cu2ZnSnS4/g-C3N4 heterojunction for superior visible light-driven CO2 reduction	83
Electronic structure and quantum capacitance analysis of transition metal doped cobalt diselenide for supercapacitors	79
Effect of surface reconstruction of SrTiO3(001) on the FeSe thin film growth	78
Potential use of silicon carbide monolayer as an anode in rechargeable Mg-ion batteries	77
A high-entropy cathode for sodium-ion batteries: Cu/Zn-doping O3-Type Ni/Fe/Mn layer oxides	76
Effect of shock wave on optical properties of Propyl p-hydroxybenzoate single crystal: A self-defocusing third order nonlinear optical material	75
Microwave absorption analysis of Mg–Zr-substituted Ni–Zn spinel ferrites in the X-band	68
CoO/MnO heterostructure on three-dimensional nickel foam as efficient electrocatalyst for oxygen evolution reaction	68
A new organic-inorganic hybrid compound based on sulfate: Structural characterization, DFT study, Hirshfeld analysis, and electrical, vibrational and thermal properties	64
Large birefringence in the quasi-one-dimensional material Sb2Se3: A DFT investigation of electronic and optical anisotropy	64
Enhanced superconductivity with possible re-appearance of charge density wave states in polycrystalline Cu1-Ag Ir2Te4 alloys	62
Analysis of the dispersion state of pitch particles in polymers for nanofiber fabrication by optical microscopy and image processing	60
Remarkable activity of a ZnPdPt anode catalyst: Synthesis, characterization, and formic acid fuel cell performance	59
Length-dependent high-frequency response of aromatic and aliphatic molecules: predictions from first-principles calculations	58
Porphyrin based channel for separation of proton isotope: A density functional theory study	58
CeVO4 nanoparticle coupled with Ag/AgBr as an efficient plasmonic photocatalyst for degradation of rhodamine B: Construction, characterization, and mechanism insight	57

Antisites disorder mediated magnetization relaxation and polydispersity in La2NiMnO6 crystallites	56
Silver nanoparticles decorated on graphene oxide modified polyester fabric: Catalytic reduction of 4-nitrophenol, organic dyes and SERS application	56
Thin thickness electromagnetic wave absorbent: Fe3O4 decorated carbon nanofibers composite with designable 3D hierarchical architecture	55
Ability of transition metal and hetero atoms co-doped SWCNTs for hydrogen adsorption: A DFT study	55
Influence of Al doping on crystal structure, magnetic and optical properties of TiO2 compound	55
First principal study of structural, electronic, magnetic, thermodynamic, optical and thermoelectric properties of Nd(Co 1-x Fex)2 (x=0 to 1)	54
A new heterojunction nickel aluminate/cerium oxide for the photocatalytic degradation of coloured organic pollutants	54
First principles investigations and Hirshfeld surface analysis of high-energetic and low-sensitive 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105) crystal	53
Analytical study of the ferroelectric properties of Fe-doped KNbO3 single crystal	52
Editorial Board	51
Investigation of Be doped GaSb with varying hole concentrations using single magnetic field Hall measurement and Raman spectroscopy	50
The effect of passivation to etching duration ratio on bipolar electrochemical etching of porous layer stacks in germanium	49
Impact of auxiliary gate work function on boosting electrical performance of a gate-all-around field effect transistor with emphasis on the scaling behavior	49
Deactivation study of the BICOVOX catalysts used in low temperature steam reforming of ethanol for H2 production	48
Development of an advanced Takayanagi equation for the electrical conductivity of carbon nanotube-reinforced polymer nanocomposites	47
Editorial Board	46
Editorial Board	46
Editorial Board	45
Addition of acceptor moiety toward Quinoxaline-based conjugated framework of chromophores for highly efficient organic solar cells	45
Investigating charge transportation and photo-responsive outcome of a Schottky diode fabricated by 2-amino terephthalic acid directed supramolecular Mn(II)-metallogel	45
Unusual mechanical properties of CO2–V: Auxetic potential in a high-pressure polymorph of carbon dioxide	44
Synthesize of in-situ polymerized PVDF/Fe-MILs membranes for highly efficient organic pollutants degradation and photocatalytic self-cleaning	44
The new Ca(Fe,Al)2O4 phase with calcium ferrite-type structure, a likely carrier of Al in the transition zone and lower mantle	44
Constructing heterogeneous structure to improve the redox ability of Nb2O5 photoanode and effectively actuate carrier separation for efficient photoelectrochemical water splitting system	44
Rational design of a novel polypyrrole-coated and zirconium-doped lithium vanadium phosphate with outstanding rate performance for lithium-ion storage	44
Influence of composition on morphology of semiconducting oxides microwires	43
A convenient, economical and excellent-yield method for the preparations of zeolite imidazolate frameworks (ZIFs) and the applications in environmental purification	42
Fluorocarbon nanosheet@copper oxide microspheres: Simultaneous promotion the decomposition of ammonium perchlorate and ignition performance of aluminum	42
Three-dimensional NiCo2O4 nanosheets and nanoflowers electrodeposited with palladium nanoparticles on nickel foam for the hydrogen evolution reaction	42
Editorial Board	42
Opto-electronic properties of carbon doped NiO	41
Effects of strain and hydrostatic pressure on exciton properties in asymmetric zinc-blende (In,Ga)N/GaN coupled double quantum wells	41
Photocatalytic and optical properties of (Mg:La) CaTiO3: Insights from first principles studies	40
Intercalation effect of 1-methyl-3-(4-vinylbenzyl) imidazol-3-ium chloride ionic liquid on Na-exchanged montmorillonite: Synthesis, characterizations, and dielectric spectroscopic analysis	40
Editorial Board	40
Editorial Board	40
Ceria-supported Ni catalyst with high catalytic activity, selectivity and stability for CO2 conversion to CH4 by hydrogenation reaction investigated by X-ray absorption spectroscopy	39
Study on the design and photocatalytic performance of TiO2@g–C3N4–Ag/Ag2O ternary heterojunction nanomaterials	39
Alkali metal doping in B–C3N4 extends carrier lifetime and increases the CO2 adsorption: DFT study and time-domain Ab initio analysis	39
Enhanced electrochemical performance of Li4Ti5O12 anode material by LaF3 surface modification for lithium-ion batteries	39
Double metal ions synergistic effect in the Ni-doped Co(OH)(BA) nanobelts for enhanced supercapacitor performance	38
Impact of substitutional doping of Tl+	38
Electrical and dielectric properties of polycrystalline VO2 discriminating between bulk and grain boundary conduction	38
Ab initio study of mechanical properties of hexagonal high-entropy ceramic (Mo0.25Nb0.25Ta0.25V0.25)(Al0.5Si0.5)2 with dual mixing of cation and anion sublattice	38
Effects of electric fields along different directions on the sensitivity and decomposition of TKX-50	38
Electrical and thermal transport properties of natural and synthetic FeAs S2- (x ≤ 0.01)	38
Constructing angustifolia-like MoS2 on Ag nanowires as anode with enhanced diffusion kinetics for Li-ion batteries	38
Fluorine-substituted cyclobutenes in the solid state: Crystal structures, vibrational spectra and mechanical and thermodynamic properties	37
Editorial Board	37
Phase stability and thermal expansion of ZnO solid solutions with 3d transition metal oxides synthesized at high pressure	37

Short-range spin order in paramagnetic AgCrSe2	37
Preparation of phenyl-bridged hybrid organic-inorganic mesoporous vesicles with high thermal stability and hierarchical buildups	37
The study on nanostructural evolution of SnO2-carbon aerogel nanocomposite during the first discharge process	37
Experimental studies and DFT calculations to predict atomic arrangements at twin boundaries and distribution behaviors of different solutes in complex intermetallics	36
First-principles investigation of physical properties of transition metal-based ternary TM5Si3C (TM = Nb, Mo, Ta, W) silicides of nowotny phase	36
Chemical-state analyses of Ni, Zn, and W ions in NiWO4–ZnWO4 solid solutions by X-ray photoelectron spectroscopy	36
High packing density and rich pseudocapactive nitrogen doped nanocarbon boosts superior volumetric-supercapacitor performance	36
Structural and thermal investigations of Li2CaGe6O14 as a new compound in the system Li2O–CaO-GeO2	36
Investigation of the electronic properties of a topological semimetal LaAuPb under uniaxial strain and hydrostatic pressure: A DFT approach	35
An investigation of the 2D Rb2O monolayer intrinsic properties from a theoretical perspective using DFT	35
Performance and stability optimization of CsPbCl3-yIy (y = 0, 1, 2, and 3) lead-based perovskites solar cells using SCAPS-1D	35
Fabrication of porous polyaniline/MWCNTs coated Co9S8 composite for electrochemical hydrogen storage application	35
Exploring magnetocaloric effect of coordination polymer based on Mn(II) and Nb(IV) by relaxation calorimetry	35
Oxidation of C–H bond of benzylic position in aromatic substrates by dehydroacetic acid based on an Iron (III) complex covalently anchored on Fe3O4 nanoparticles	35
Revealing the electronic, optical, phonon and thermoelectrical characteristics of bulk and monolayered RbLiS and RbLiSe compounds by DFT	35
Electronic Structure Modulation and Enhanced Optical-Thermoelectric Performance through Relativistic Band Engineering in Eu-doped La2O3 (1.25%, 2.25%): Advancing PC-LED Technology via GGA+U+SOC Analys	35
Effect of aluminum substitution on structural, electronic and dielectric properties of cubic CaCu3Ti4O12 ceramics: A first-principles study	35
Predicting the bandgap energy of distorted GaSbxAs1-x and InSbxAs1-x using design of experiment (DoE) and artificial intelligence (AI): A comparative study	35
Controlling the conduction type in a thermoelectric material (Cu1-xAgx)2ZnSnS4	35
Molecular structure and third-order non-linear optical properties of two novel tetralone-based chalcone derivatives: Promising materials for optical limiting applications	34
Electronic structure, optical, photocatalytic and charge storage performance of WO3 nanostructures	34
Two-dimensional cluster catalysts with superior thermal stability and catalytic activity for AP	34
Investigating the effect of Mo doping on structural and ferroelectric properties of BaTiO3 using electron microscopy	34
Synthesis of GdFeO3/α-Fe2O3 heterostructure with enhanced photo-Fenton-like performance for organic pollutant degradation	34
Electronic structure and magnetic properties of CrI3 monolayer doped by rare earth metal atoms	33
Magnetically tunable rheological properties of PVDF doped with superparamagnetic Fe3O4 nanoparticles synthesized by rapid microwave method	33
Improved hydrogen storage thermodynamics and kinetics of La–Ce–Mg–Ni alloy by ball milling	32
Pd on ligand-decorated chitosan as an efficient catalyst for hydrofinishing polyalphaolefins: Experimental and computational studies	32
Hydrogen storage performances of La-Sm-Mg-Ni alloy prepared by casting and ball milling	32
Structural confirmation and elucidation of optical, photo-catalytic and antibacterial properties of cerium doped Bi2O4	32
Investigations of photoelectrochemical performance of polycrystalline Bi-doped ZnO thin films	32
Supported Pd nanoparticles on micro structured chitosan-MgAl layered double hydroxide hydrogel beads as a sustainable, effective, and recyclable nanocatalyst for Heck cross-coupling reactions	32
First-principles study of ATcO31
Selective extraction performance of Ni, Cu, Co, and Mn adopted by a coupled leaching of low-grade Ni-sulfide ore and polymetallic Mn-oxide ore in sulphuric acid solutions	31
Ferromagnetic PEO coatings on titanium as photo-Fenton-like heterogeneous catalysts	31
Novel 1D/3D CeO2/g-C3N4 catalysts for photodegradation of ciprofloxacin under visible light via dimensional regulation and heterostructure construction	31
Tunable superconductivity in fluorine-functionalized molybdenum carbide	31
Spindle-shaped MoS2/ MnNi bimetallic hydroxide derived from metal-organic frameworks as electrode materials for high performance supercapacitors	31
Synergistic impact of metal/semiconductor (Co@Co3O4) core-shell nanostructures on the structure, electrical, and dielectric properties of BaTiO3-based composites	30
Insights into different toxic molecular gases on the Fe-dimer anchored at C2N monolayer as potential sorbents and gas sensors: A theoretical approach	30
Construction of novel Ce2(WO4)3/rGO nanocomposites for efficient photocatalytic mitigation of antibiotic drug chloramphenicol	30
Structure and activity of lysozyme on binding to lithium-manganese oxide nanocomposites prepared from seabed nodule	30
Effect of benzotriazole on the prevention of electroless nickel–immersion gold treated copper corrosion	30
Effect of Nickel-doped cerium dioxide on electrochemical hydrogen storage properties of Co0.9Cu0.1Si alloy	30
Theoretical study on the energy storage performance of Electrical double layer supercapacitors with choline amino acid ionic liquids electrolyte	30
Structural and magnetic properties of the layered perovskite system Sr2−Pr CoO4 (x = 0.7, 0.9, 1.1)	30
Dendritic branching Z-scheme Cu2O/TiO2 heterostructure photocatalysts for boosting H2 production	30
Conductive polypyrrole-promoted Li3V2(PO4)3 nanocomposite for rechargeable lithium energy storage	30
Computational investigation of lead-free NaZn0·7Ag0.3Br3 based double-perovskite solar cell	30
Enhanced structural and optical properties of Cs0.1FA0.9PbI3 perovskite thin film with potassium doping for perovskite solar cells	30
Effect of Si/Al ratio, calcination temperature and post-synthesis phosphorus modification on the textural, structural, acidic, and catalytic properties of amorphous silica-alumina prepared by depositi	30
Optimization of efficiency of CZTS-based solar cell through exclusive BSF layer engineering method	30
Influence of post fabrication annealing on device performance of InAlN/GaN high electron mobility transistors	29
Thermally induced spin transition in Fe(pyrazine)[Fe(CN)5NO]	29
Bandgap analysis of transition-metal dichalcogenide and oxide via machine learning approach	29
Effects of the phase transition on the structural, mechanical, electronic and vibrational properties of the CaSnO3 perovskite: Study under hydrostatic pressure	29
Ti3C2T /PANI/CoNi as a ternary composite material unveiling excellent microwave absorption performance	29
Morphological effect of one-dimensional ZnO nanostructures on the photocatalytic activity	29
Solar-light-driven Z-scheme CaF2:Yb3+,Er3+@ZnTiO3/Au/CdS photocatalyst with efficient charge transfer and light utilization for enhanced norfloxacin degradation with simultaneous hydrogen evolution	29
Dynamic interface layer enables epitaxial Li deposition for anode-free Li metal batteries	28
The mechanism of hydrogen generation from H2O splitting of Ben (n = 14–17) clusters based on density functional theory	28
Construction of a novel multidimensional 1D/2D heterojunction FeVO4/In2S3 with significantly reinforced charge transport and excellent photocatalytic activity	28
X-ray induced synthesis of beta tin (β-Sn)	28
Electrochemical supercapacitor based on polyaniline/bismuth-doped zinc oxide (PANI/Bi–ZnO) composite for efficient energy storage	28
Energy efficient sunshine active Ag decorated WO3/HNT nanocomposite for accelerated detoxification of hazardous dye-based emerging pollutant	28
Construction of core-shell Ni@Ni3S2@NiCo2O4 nanoflakes as advanced electrodes for high-performance hybrid supercapacitors	28
Investigation of structural, electronic, optical and thermoelectric properties of hallide double perovskite Rb2AlAgX6 (X = Cl, I): A first-principles DFT study	28
Theoretical design and performance evaluation of a lead-free fully inorganic CIGS solar cell with CuSbS2 as HTL	28
Effect of Ba substitution on dielectric and magnetic properties in La2MnNiO6 double perovskite	28
Amplifying energy storage and production efficiency: Utilizing BaS3: Ni2S3: Sb2S3 synthesized from dithiocarbamate precursors for enhanced and sustainable energy solutions	28
Parameters of the vacancy formation and self-diffusion in the iron	27
A multi-strategic exploration towards significantly enhanced electrochemical performance of Co3O4-based anodes for lithium-ion batteries	27
Spall strength and equation of states for 2050-T84 Al–Li alloy under shock compression up to 120 GPa	27
A visible light responsive Bi2S3/MIL-53(Fe) heterojunction with enhanced photocatalytic activity for degradation of tetracycline	27
Energy transfer between two luminous centers and tunable emission of La7Nb3W4O30:Dy3+, Eu3+	27
Preparation, antioxidant activity, and theoretical studies on the relationship between antioxidant and electronic properties of bis(thio/carbohydrazone) derivatives	27
Investigation of the structural and electronic properties and surface passivation influence on electronic properties of (001) SbNSr3 nano-surfaces: A hybrid DFT study	26
Non-volatile memory field effect transistor composed of ferroelectric Mn-doped InP thin films and single-layer MoS2 channel	26
Opto-electro-mechanical properties of lead-free hybrid double perovskites Cs2AgSbX6 (X = Cl, Br, I) for solar cells: A first-principles study	26
Investigation of the Different Structures of Xanthan Gum on the Performance of Silicon Anodes in Lithium-ion batteries	26

YBCO nanostructured ceramics: Relationship between doping level and temperature coefficient of electrical resistance	26
Investigating the effects of various synthesis routes on morphological, optical, photoelectrochemical and photocatalytic properties of single-phase perovskite BiFeO3	26
Investigation of thickness dependent efficiency of CsPbX3 (X = I, Br) absorber layer for perovskite solar cells	26
Optimization of argon-air DBD plasma-assisted grafting of polyacrylic acid on electrospun POSS-PCUU	26
Strain engineering of electronic and spin properties in SnX (X = P, As, Sb, Bi) monolayers	26
Hybrid of cerium dioxide nanoparticles/reduced graphene oxide as an electrode material for supercapacitor applications	26
Comparative study of the structural, mechanical, electronic, optical and thermodynamic properties of superconducting disilicide YT2Si2 (T=Co, Ni, Ru, Rh, Pd, Ir) by DFT simulation	25
The carriers doping effect on electronic and optical behaviors of newly layered Sr1- xHfxFBiS2 alloying materials for light-modulator devices	25
Effects of temperature on the electrical properties of samaria-doped ceria predicted with the statistical moment method	25
Copper-doped ZIF-8 nanomaterials as an adsorbent for the efficient removal of As(V) from wastewater	25
Thermal expansion coefficient of nonstoichiometric gadolinium zirconate: First-principles calculations and experimental study	25
Synthesis of CeyMn(1-y)Ox solid solution catalysts with superior photothermal catalytic performance for acetone removal under ambient condition	25
Three dimensional porous magnesium aluminum hydrotalcite material doped with TiO2 and Al2O3 for fluoride removal	25
Peculiarities of the local structure in new medium- and high-entropy, low-symmetry tungstates	25
DFT insights into the pressure-induced ultraviolet to visible band gap engineering of TlMgF3 cubic halide perovskites for optoelectronic applications	25
Synthesis of core-double-shell structured Fe3O4@PDA/HKUST-1: Characterization analysis and adsorption performance on cationic MB dyes	25
Spin-phonon coupling in the incommensurate magnetic ordered phase of orthorhombic TmMnO3	24
Diamond(001)–Si(001) and Si(001)–Ti(0001) interfaces: A density functional theory study	24
Facile fabrication of P-type hematite thin film and application for enhanced photoelectrochemical oxygen evolution reaction efficiency	24
Low lattice thermal conductivity of novel NiVSn with 19 valence electron count contrasted to 18 of NiVAl and NiAlSb Half-Heusler compounds	24
Performance improvement and optimization of Cs₂TiI₂Br₄ perovskite solar cells with diverse charge transport materials via numerical analysis	24
Structural phase transition, phase purity, inter-/intra-grain electrical parameters and local energy barrier profile as a function of aliovalent and isovalent substitution in BiFeO3	24
The incorporation of cobalt ions into hydroxyapatite nanostructure for a novel range of electrochemical energy storage applications	24
Biomass-based porous carbon from trachycarpus fortunei silk with the hierarchical oxygen-enriched structure for high performance flexible all-solid-state supercapacitor	24
N-doped TiO2 nanotube arrays with mixed phase for enhanced photocathodic protection of 304 stainless steel under visible light	24
Thermal and magnetic properties of Fe7Se8 studied on single crystals	24
Corrosion of Cu-doped Ni–Mo low-alloy steel in a severe marine environment	24
Optoelectronic and structural properties of Ge-rich narrow band gap nc-SixGe1-x absorber layer for tandem structure nc-Si solar cells	24
Constructing a binderless carbon-coated In2O3 anode for high-performance lithium-ion batteries	24
Study the effect of rGO on the porous binary Zn0.25Cu0.75S nanocomposite deposited on Ni-foam electrode for high performance energy storage devices	24
Fabrication and magnetic properties of pulse electrodeposited FeSn nanowire arrays	24
Design a novel g-C3N4 based Ce2O3/CuO ternary photocatalysts for superior photo-degradation performance of organic mixed pollutants: Insights of Z-scheme charge transfer mechanism	24
Theoretical study of the size dependencies of the thermodynamic properties of tungsten at various pressures and temperatures	23
First principles investigation of structural, electronic and optical properties of synthesized radiaannulene oligomers for 6,6,12-graphyne	23
Oxygen vacanciesWriting – introduced to iron oxide by melamine assist to improve lithium storage performance	23
α-Mn2O3 porous fibers synthesized by air-heated solution blow spinning (A-HSBS) technique: electrochemical assessment for oxygen evolution reaction in alkaline medium	23
A new yolk-shell hollow mesoporous nanocomposite, Fe3O4@SiO2@MCM41-IL/WO42-, as a catalyst in the synthesis of novel pyrazole coumarin compounds	23
Mechanical behaviour of 2D hybrid structure fabricated by doping graphene with triangular h-BN cells	23
A novel strategy to enhance the visible light driven photocatalytic activity of CuBi2O4 through its piezoelectric response	23
Spectro-nanoscopic investigation of oxidation-state changes of Ni, Co, and Mn ions in LixNi0.88Co0.08Mn0.04O2 primary particles by annealing	23
Investigating the Z-scheme mechanism on the optimized oxygen vacancies ZnO/Co3S4 photocatalyst for the efficient photocatalytic removal of ciprofloxacin	23
Strain-induced intercalation of alkali metals (Li、Na、K) into Gr/2H(1T)-MoS2 heterostructure	23
Room temperature ferromagnetism in Fe3O4 nanoparticle-embedded polymer semiconductors	23
n-type (Zr,Ti)NiSn half Heusler materials via mechanical alloying: Structure, Sb-doping and thermoelectric properties	23
Enhanced catalytic performance with Fe@α-Fe2O3 thin nanosheets by synergistic effect of photocatalysis and Fenton-like process	23
Yolk-shell Si@void@C composite with Chito-oligosaccharide as a C–N precursor for high capacity anode in lithium-ion batteries	23
Quantification of Cr in Lu1-xSrxFe0.5Cr0.5O3 (0 ≤ x ≤ 1) samples containing impurities using X-ray techniques in combination with several data treatment methodologies	22
Role of interlayer spacing on electronic, thermal and optical properties of BN-codoped bilayer graphene: Influence of the interlayer and the induced dipole-dipole interactions	22
Effect of the calcination temperature on temperature coefficient of resistance and magnetoresistance of La0.67Ca0.33MnO3 polycrystalline ceramics	22
MoS2–CdS composite photocatalyst for enhanced degradation of norfloxacin antibiotic with improved apparent quantum yield and energy consumption	22
Dielectric study of low-cost porous anodic aluminum oxide (AAO) template and AAO template-copper nanowires (Cu/AAO) nanocomposites as a capacitor for energy storage	22
Combined first principles and Heisenberg model studies of ferrimagnetic Tri-transition quaternary perovskites CaCu3B2Re2O12 (B = Mn, Fe, Co, and Ni)	22
Magnetic field effect on nanoscaled water: Structural and optical investigations	22
Impact of pre-annealing time on the growth and properties of Ag2ZnSnSe4 thin films	22
Carboxyl and thiol-functionalized magnetic nanoadsorbents for efficient and simultaneous removal of Pb(II), Cd(II), and Ni(II) heavy metal ions from aqueous solutions: Studies of adsorption, kinetics,	22
Brucite (Mg(OH)2) under small perturbation: A combined first principles and synchrotron X-ray diffraction study	22
Identifying silica types using viscosity data and principal component analysis	22
Stability, and electronic and optical properties of ternary nitride phases of MgSnN2: A first-principles study	22
Reduction in low-temperature thermal conductivity of Cu2Se via substitution of Se by Te atoms	22
Unraveling a thermodynamic ensemble at the quasicontinuum scale: Interplay of van der Waals forces without all the atoms	22
Single ion magnets as magnetic probes of internal field in microparticle array	22
Forced hydrolysis of FeCl3 solutions in the presence of Cr3+ ions	22
Design and fabrication of core-shell magnetic and non-magnetic supported carbonaceous metal organic framework nanocomposites for adsorption of dye	22
Synthesis and characterization of new potential high-energy materials based on fullerene soot nanoparticles and nitroaryl diazonium ions	22
Influence of Sn doping on the structural, magnetic, optical and photocatalytic properties of hematite (α-Fe2O3) nanoparticles	22
Facile synthesis of composite between titania nanoparticles with highly exposed (001) facet and coconut shell-derived graphene oxide for photodegradation of methylene blue	22
Structural, thermal, vibrational, and optical characterization of Sn–S–Se dichalcogenide system synthesized by high-energy ball milling	22
Elucidating the potential of nitrogen-containing heterocyclic core-based non-fullerene acceptors for organic photovoltaic applications	22
Integer quantum Hall effect with an anisotropic Coulomb interaction potential	22
First principle calculations of structural and electronic properties of pyrochlore Y2Ru2O7 and Y1-M Ru2O7−δ (M=Mg, Ca, Sr, Ba, Zn, Cd and Hg)	22
MOF derived NiCo-LDH hollow structure for oxygen evolution reaction	22
Construction of novel BiOI/CuInS2/ZnO dual S-scheme charge transfer pathway for efficient antibiotic degradation	22
In situ growth of CdIn2S4 on NH2-MIL-125 as efficient photocatalysts for H2 production under visible-light irradiation	22
Structural, electronic, half –metallic ferromagnetic and optical properties of cubic MAlO3 (M=Ce, Pr) perovskites: A DFT study	22
Controlling phase and morphology of all-dip-coating processed HC(NH2)2PbI3 perovskite layers from an aqueous halide-free lead precursor	21
Iron encapsulated carbon nanotube composites embedded in alumina with enhanced magnetic properties	21
Effects of ferrous ion doping on the structural, optical, and electronic properties of tin tungstate materials	21
Correlation of -Ps annihilation properties with catalytic activities of palladium species immobilized on functionalized MCM-41 supports	21
Band-offset reduction for effective hole carrier collection in bifacial silicon heterojunction solar cells	21
Exploring the electronic properties of doped zirconia for enhanced optoelectronic applications: A quantum chemical approach	21
Effect of doping IVB, VB and VIB elements on structure, stability, elastic and electronic properties of the O and B2 of Ti2AlNb intermetallic: A first principles study	21
First-principles study of the behaviors of He atoms at TiC(110)/V(110) interface	21
Thermoelectric and photovoltaic properties of 12-BaBi2S4	21
Design perspectives of a thin film GaAs solar cell integrated with Carrier Selective contacts and anti-reflection coatings: Optical and device analysis	21
Combining rhombohedral dodecahedral ZnO with g-C3N4 nanosheets for enhanced photocatalytic activity	21
Structural, electrical, and dielectric properties of chemically derived Sm-Doped cubic lanthanum molybdate nanomaterials	20
Li-ion diffusional insights and temperature dependent electrical & dielectric properties of LiNi1/3Mn1/3Co1/3PO4 electrodes	20
Effect of ethylene glycol concentration on the structural and optical properties of multimetal oxide CdO–NiO–Fe2O3 nanocomposites for antibacterial activity	20
Structural, electrical and energy storage properties of lead-free NaNbO3-BaHfO3 thin films	20
Enhancement of the microwave absorption performance of flaky FeSiCr powder through the compounding of cobalt ferrite	20
Electronic, reactivity and third order nonlinear optical properties of thermally-stable push-pull chalcones for optoelectronic interest: Experimental and DFT assessments	20
Thermodynamic theory of PbxSr1-xTiO3 solid solutions	20
Tailoring Li-ion transport in hybrid biopolymer electrolyte from Maydis stigma for supercapattery applications	20
Enhanced charge carrier separation in stable Type-1 CoNi2S4/MoS2 nanocomposite photocatalyst for sustainable water treatment	20
Lattice constant, bandgap energy, absorption coefficient and dielectric function of the antimony-rich InBixSb1-x alloy using first-principles calculations	20