Physica E-Low-Dimensional Systems & Nanostructures

Article	Citations
Sustainable synthesis of carbon quantum dots from banana peel waste using hydrothermal process for in vivo bioimaging	202
Investigation of graphene supported terahertz elliptical metamaterials	120
Terahertz narrowband perfect metasurface absorber based on micro-ring-shaped GaAs array for enhanced refractive index sensing	106
Tuning the electronic properties of MoSi2N4 by molecular doping: A first principles investigation	102
Dual band visible metamaterial absorbers based on four identical ring patches	86
Terahertz broadband tunable reflective cross-polarization convertor based on complementary cross-shaped graphene metasurface	77
Outstanding performance of silver-decorated MoS2 nanopetals used as nanocatalyst for synthetic dye degradation	75
Adsorption behaviour of metronidazole drug molecule on the surface of hydrogenated graphene, boron nitride and boron carbide nanosheets in gaseous and aqueous medium: A comparative DFT and QTAIM insig	73
Quad-band polarization-insensitive metamaterial perfect absorber based on bilayer graphene metasurface	72
Pt-doped armchair graphene nanoribbon as a promising gas sensor for CO and CO2: DFT study	69
Transport and recombination properties of group-III doped SiCNTs	67
First principle study of transition metals codoped MoS2 as a gas sensor for the detection of NO and NO2 gases	63
Noncovalently functionalization of Janus MoSSe monolayer with organic molecules	60
Terahertz tunable three band narrowband perfect absorber based on Dirac semimetal	58
Ultrahigh carrier mobility of penta-graphene: A first-principle study	57
Fabrication of a g-C3N4/MoS2 photocatalyst for enhanced RhB degradation	54
Two-dimensional ZnI2 monolayer as a photocatalyst for water splitting and improvement its electronic and optical properties by strains	49
Effects of rare earth, transition and post transition metal ions on structural and optical properties and photocatalytic activities of zirconia (ZrO2) nanoparticles synthesized via the facile precipit	47
A square-lattice D-shaped photonic crystal fiber sensor based on SPR to detect analytes with large refractive indexes	46
Design of a graphene-based multi-band metamaterial perfect absorber in THz frequency region for refractive index sensing	46
Adsorption of alprazolam drug on the B12N12 and Al12N12 nano-cages for biological applications: A DFT study	45
Structural, morphological and optical properties of multifunctional magnetic-luminescent ZnO@Fe3O4 nanocomposite	45
Fabrication of Zn-MOF-74/polyacrylamide coated with reduced graphene oxide (Zn-MOF-74/rGO/PAM) for As(III) removal	44
Study of hydrostatic pressure, electric and magnetic fields effects on the donor binding energy in multilayer cylindrical quantum dots	44
Room temperature ferromagnetic behavior of nickel-doped zinc oxide dilute magnetic semiconductor for spintronics applications	43

Gold decorated B12N12 nanocluster as an effective sulfasalazine drug carrier: A theoretical investigation	43
Theoretical investigation of emodin conjugated doped B12N12 nanocage by means of DFT, QTAIM and PCM analysis	43
Effects of external electric and magnetic fields on the linear and nonlinear optical properties of InAs cylindrical quantum dot with modified Pöschl-Teller and Morse confinement potentials	42
Electronic properties and hydrogenic impurity binding energy of a new variant quantum dot	42
A simple approach for the synthesis of bi-functional p-n type ZnO@CuFe2O4 heterojunction nanocomposite for photocatalytic and antimicrobial application	41
Adsorption and gas-sensing performances of C2H2, C2H4, CO, H2 in transformer oil on Pt-doped MoTe2 monolayer: A DFT study	41
Strain effects on monolayer MoSi2N4: Ideal strength and failure mechanism	40
Effect of biaxial strain on thermal transport in WS2 monolayer from first principles calculations	39
Effects of intense laser field and position dependent effective mass in Razavy quantum wells and quantum dots	39
Nanostructure effect on quenching and dequenching of quantum emitters on surface plasmon-coupled interface: A comparative analysis using gold nanospheres and nanostars	38
MoS2: Advanced nanofiller for reinforcing polymer matrix	38
Wideband graphene-based near-infrared solar absorber using C-shaped rectangular sawtooth metasurface	37
Photocatalytic activity of Ag/ZnO /AgO/TiO2 composite	37
Multifunctional hybrid soret nanoarchitectures for mobile phone-based picomolar Cu2+ ion sensing and dye degradation applications	37
Design and construction of ZIF(8 and 67) supported Fe3O4 composite as advanced materials of high performance supercapacitor	37
Graphene sensing nanostructure for exact graphene layers identification at terahertz frequency	36
Understanding delivery and adsorption of Flutamide drug with ZnONS based on: Dispersion-corrected DFT calculations and MD simulations	36
Theoretical design of porous phononic crystal sensor for detecting CO2 pollutions in air	35
Tunable wide-angle perfect absorber based on black phosphorous-dielectric-metallic hybrid architecture	34
Adsorption properties of InP3 monolayer toward SF6 decomposed gases: A DFT study	33
First-principles study of hydrogen storage on Ca-decorated defective boron nitride nanosheets	33
Plasmonic metasurface with quadrilateral truncated cones for visible perfect absorber	32
Computational study of borophene/boron nitride (B/BN) interface as a promising gas sensor for industrial affiliated gasses	32
Structural and mechanical properties characterization of arsenene nanosheets under doping effect of transition metals: A DFT study	32
A density functional theory study on favipiravir drug interaction with BN-doped C60 heterofullerene	32
Quantum dynamics in low-dimensional systems with position-dependent mass and product-like fractal geometry	31
CH3NH3CdCl3: A promising new lead‐free hybrid organic–inorganic perovskite for photovoltaic applications	31
A comprehensive computational and experimental analysis of stable ferromagnetism in layered 2D Nb-doped Ti3C2 MXene	31
Highly sensitive ethanol gas sensors based on Co-doped SnO2 nanobelts and pure SnO2 nanobelts	29
Broadband and thermally switchable reflective metasurface based on Z-shape InSb for terahertz vortex beam generation	29
Novel design of wide temperature ranges sensor based on Tamm state in a pyroelectric photonic crystal with high sensitivity	28
Preparation and thermoelectric power properties of highly doped p-type Sb2Te3 thin films	28
Evaluation of structural, surface morphological and thermal properties of Ag-doped ZnO nanoparticles for antimicrobial activities	28
Two-dimensional MgP3 monolayer with remarkably tunable bandgap and enhanced visible-light and UV optical absorptions	27
Thermo-magnetic properties of the screened Kratzer potential with spatially varying mass under the influence of Aharanov-Bohm(AB) and position-dependent magnetic fields	26
Excellent sensing based on dual-plasmon induced transparency in graphene metasurface	26
Strain modulation of electronic and optical properties of monolayer MoSi2N4	26
Two-dimensional phononic crystal sensor for volumetric detection of hydrogen peroxide (H2O2) in liquids	26
Investigations of thermoelectric properties of ZnO monolayers from the first-principles approach	26
Preparation of reduced graphene oxide decorated two-dimensional WSe2 nanosheet sensor for efficient detection of ethanol gas	26
Broadband metamaterial absorber in the visible region using a petal-shaped resonator for solar cell applications	25
Doping-induced large spin-filter behavior and rectification behavior in zigzag graphene nano-ribbon junction	25
Theoretical investigation of electronic and optical properties of the 2D-MoSe2/GaN heterostructure nanosheet	25
Characterization and antibacterial activity of Ti doped ZnO nanorods prepared by hydrazine assisted wet chemical route	25
Mechanical ball milling: A sustainable route to induce structural transformations in tungsten disulfide for its photocatalytic applications	25
AlAs/SiH van der Waals heterostructures: A promising photocatalyst for water splitting	25
Novel NiS/Ag2MoO4 heterostructure nanocomposite: Synthesis, characterization and superior antibacterial and enhanced photocatalytic activity	24
Effects of Au nanoslabs on the performance of CdO thin films designed for optoelectronic applications	24
Development of an amperometric biosensor for dopamine using novel mesoporous silicon nanoparticles fabricated via a facile stain etching approach	24
TPDH-graphene: A new two dimensional metallic carbon with NDR behaviour of its one dimensional derivatives	24

Magnetocaloric effect, magnetic susceptibility and specific heat of tuned quantum dot/ring systems	24
A generalized self-consistent approach to study position-dependent mass in semiconductors organic heterostructures and crystalline impure materials	24
Structural and optical properties of Mg modified ZnO nanoparticles: An x-ray peak broadening analysis	24
A novel band-to-band tunneling junctionless carbon nanotube field-effect transistor with lightly doped pocket: Proposal, assessment, and quantum transport analysis	24
DFT study of gas adsorption and sensing based on noble metal (Ag, Au and Pt) functionalized boron selenide nanosheets	24
Enhancing the piezoelectric properties of boron nitride nanotubes through defect engineering	24
Preparation of carbon quantum dots using bike pollutant soot: Evaluation of structural, optical and moisture sensing properties	24
Spin-polarised DFT modeling of electronic, magnetic, thermal and optical properties of silicene doped with transition metals	24
Dynamics of position-dependent mass particle in crystal lattices microstructures	23
Ultra-fast tunable optoelectronic full-adder based on photonic crystal ring resonators covered by graphene nanoshells	23
Two-dimensional Janus Sn2SSe and SnGeS2 semiconductors as strong absorber candidates for photovoltaic solar cells: First principles computations	23
Phase segregation induced third order nonlinear saturable absorption behavior in Erbium doped ZnO nanoparticles synthesized by facile hydrothermal method	23
A theoretical investigation on the mercaptopurine drug interaction with boron nitride nanocage: Solvent and density functional effect	23
First-principles investigation of the electronic structure, optical and thermodynamic properties on monolayer Sn0.5Ge0.5Se nanosheet	22
Quantization of Foster mesoscopic circuit and DC–pumped Josephson parametric amplifier from fractal measure arguments	22
Investigation of tied double gate 4H–SiC junctionless FET in 7 nm channel length with a symmetrical dual p+ layer	22
Ultra-low thermal conductivity and super-slow hot-carrier thermalization induced by a huge phononic gap in multifunctional nanoscale boron pnictides	22
DFT study on the adsorption of CO, NO2, SO2 and NH3 by Te vacancy and metal atom doped MoTe2 monolayers	22
Two-dimensional Bi2Se3 monolayer with high mobility and enhanced optical absorption in the UV–visible light region	22
Physical characterization and heating efficacy of chitosan-coated cobalt ferrite nanoparticles for hyperthermia application	22
A new bifunctional C3N nanosheet of NO2, SO2 gas sensor and CO2 separation: A first-principles study	22
Design of promising single Rh atom catalyst for CO oxidation based on Graphdiyne sheets	21
Janus Ga2STe monolayer under strain and electric field: Theoretical prediction of electronic and optical properties	21
Experimental and theoretical studies of structural, electronic and magnetic properties of RE2NiCrO6 (RE= ce, Pr and Nd) double perovskites	21
Zn/Fe nanocomposite based efficient electrochemical sensor for the simultaneous detection of metal ions	21
Correlation between strain tunable piezoelectricity and Rashba effect in flexible Janus Ga2Ge2XY (X, Y = S, Se, and Te) monolayers with high carrier mobility	21
Strain and external electric field modulation of the electronic and optical properties of GaN/WSe2 vdWHs	21
B12N12 nanocages with homonuclear bonds as a promising material in the removal/degradation of the insecticide imidacloprid	21
Interplay between ferromagnetism and photocatalytic activity generated by Fe3+ ions in iron doped ZnO nanoparticles grown on MWCNTs	20
An ultrastable and robust single-photon emitter in hexagonal boron nitride	20
Enhanced hydrogen sensing properties in copper decorated nitrogen doped defective graphene nanoribbons: DFT study	20
Flexible terahertz metamaterial filter with high transmission intensity and large tuning range for optical communication application	20
Structural, electronic, vibrational, mechanical and thermoelectric properties of 2D and bulk BaX (X=O, S, Se and Te) series under DFT and BTE framework	20
Study of electronic structure, stabilities and electron localization behavior of AgPbn (n=1–14) nanoclusters: A first principal investigation	20
A first-principles research of two-dimensional AlN/C2N van der Waals heterostructure as photocatalyst	20
Analog/RF performance assessment of ferroelectric junctionless carbon nanotube FETs: A quantum simulation study	20
Study of photoionization cross section and binding energy of shallow donor impurity in multilayered spherical quantum dot	20
A two-dimensional MoS2/SnS heterostructure for promising photocatalytic performance: First-principles investigations	20
Ab-initio modelling for gas sensor device: based on Y-doped SnS2 monolayer	20
Novel hydrogen cyanide gas sensor: A simulation study of graphene nanoribbon doped with boron and phosphorus	19
Tuning the oxygen functional groups in graphene oxide nanosheets by optimizing the oxidation time	19
Exact solution of two-dimensional (2D) Ising model with a transverse field: A low-dimensional quantum spin system	19
The strain-induced excellent thermoelectric performance of PbTe	19
Optical properties of a quantum well with Razavy confinement potential: Role of applied external fields	19
Nitrogen-doped graphene quantum dot decorated ultra-thin ZnO nanosheets for NO2 sensing at low temperatures	19
Investigation on visible light assisted gas sensing ability of multi-walled carbon nanotubes coated with pyrene based organic molecules	19
Hydrogen adsorption on pillar[6]arene: A computational study	18
Disorder effects in the two-dimensional Lieb lattice and its extensions	18
Launching of Davydov solitons in protein α-helix spines	18
Induced ferromagnetism in bilayer hexagonal Boron Nitride (h-BN) on vacancy defects at B and N sites	18
Fabrication of hybrid graphene/CdS quantum dots film with the flexible photo-detecting performance	18
Ultra-broadband perfect absorber based on nanoarray of titanium nitride truncated pyramids for solar energy harvesting	18
Band and optical properties of arsenene and antimonene lateral heterostructure by first-principles calculations	18
Electronic and photocatalytic properties of Antimonene nanosheets	18
In silico design and analysis of Pt functionalized graphene-based FET sensor for COVID-19 biomarkers: A DFT coupled FEM study	18
Broadband terahertz metamaterial absorber and modulator based on hybrid graphene-gold pattern	18
A comparative DFT study on prospective application of C24, Si12C12, B12N12, B12P12, Al12N12, and Al12P12 nanoclusters as suitable anode materials for magnesium-ion batteries (MIBs)	18
Impact of silicon-based substrates on graphene THz antenna	18
Strain modulated electronic and optical properties of laterally stitched MoSi2N4/XSi2N4 (X=W, Ti) 2D heterostructures	17
Theoretical design of nanoparticle-based spectrally emitter for thermophotovoltaic applications	17
Alginate coated layered double hydroxide/reduced graphene oxide nanocomposites for removal of toxic As (V) from wastewater	17
Murraya koenigii mediated synthesis of cobalt doped NiO nanoparticles: Evaluation of structural, optical properties and anti-bacterial activity	17
Electronic properties of transition metal embedded twin T-graphene: A density functional theory study	17
The paramagnetic approach of the color-changing of nano h-BN particle under the neutron irradiation	17
Carboxylated single-walled carbon nanotubes as a semiconductor for adsorption of acrylamide in mainstream cigarette smoke	17
A computational study on the Pd-decorated ZnO nanocluster for H2 gas sensing: A comparison with experimental results	17
Nonlocal free vibration characteristics of power-law and sigmoid functionally graded nanoplates considering variable nonlocal parameter	17
Anisotropic basic electronic properties of strained black phosphorene	17
Photoionization cross section of donor single dopant in multilayer quantum dots under pressure and temperature effects	17
Theoretical investigation of electronic and optical properties of 2D transition metal dichalcogenides MoX2 (X = S, Se, Te) from first-principles	16
Electronic structure, optical and thermoelectric properties of Ge2SeS monolayer via first-principles study	16
A density functional theory study on detection of amphetamine drug by silicon carbide nanotubes	16
Computational study of 4d transition metals doped bismuthene for spintronics	16
M@[12-crown-4] and M@[15-crown-5] where (M=Li, Na, and K); the very first examples of non-conventional one alkali metal-containing alkalides with remarkable static and dynamic NLO response	16
Optical properties of a single quantum well with Pöschl–Teller confinement potential	16
Quantized Goos-Hänchen shifts on the surface of hybridized topological insulator thin films	16
Eco-friendly synthesis of symmetrical pyramid structured zinc oxide nanoparticles and high temperature stable UV-shielding properties of zinc oxide /polyurethane composite membranes	16
Ag nanowires based SERS substrates with very high enhancement factor	16
Electronic properties of two-dimensional G/GaN(SiC) van der Waals heterostructures	16
Exploring different routes for the synthesis of 2D MoS2/1D PANI nanocomposites and investigating their electrical properties	16

Synthesis, characterization and electrochemical analysis of TiO2 nanostructures for sensing l-Cysteine and hydrogen peroxide	16
First-principles calculations of optical properties of 2D CaFBr and BaFBr monolayers	16
Quantum mechanical studies of the adsorption of Remdesivir, as an effective drug for treatment of COVID-19, on the surface of pristine, COOH-functionalized and S-, Si- and Al- doped carbon nanotubes	16
Exploring the performance of pristine and defective silicene and silicene-like XSi3 (X= Al, B, C, N, P) sheets as supercapacitor electrodes: A density functional theory calculation of quantum capacita	16
Tunable electronic structures in Type-II PtSe2/HfS2 van der Waals heterostructure by external electric field and strain	16
Synthesis of oxygen-doped-g-C3N4/WO3 porous structures for visible driven photocatalytic H2 production	15
Impurity and geometry effects on the optical rectification spectra of quasi-elliptical double quantum rings	15
Annealing effect on the thermoelectric properties of multiwall carbon nanotubes	15
Complex impedance, dielectric constant, electric modulus, and conductivity analysis of Cd doped ZnO nanostructures at high temperatures	15
Ligand engineering of mid-infrared Ag2Se colloidal quantum dots	15
Multifunctionalities of 2D MoS2 self-switching diode as memristor and photodetector	15
Reverse Meyer-Neldel rule prevailing in the hole transport of B-doped nc-SiOx:H thin films sustaining degeneracy and performing as suitable window of nc-Si solar cells	15
Evaluation of the thermal conductivity coefficient of the strained concentric multi-walled carbon and boron-nitride nanotubes: A molecular dynamics investigation	15
Stacking-dependent Rashba spin-splitting in Janus bilayer transition metal dichalcogenides: The role of in-plane strain and out-of-plane electric field	15
Energetics, electronic and magnetic properties of monolayer WSe2 doped with pnictogens, halogens and transition-metal (4d, 5d) atoms: An ab-initio study	15
Transport properties and thermoelectric properties of two-dimensional PtS2 monolayer: First-principle study	15
Adsorption of CO2 and CH4 molecules on the Pd-decorated C3N based sensors: A first-principles study	15
Enhancement of piezoelectric and flexoelectric response of boron nitride sheet superlattices via interface and defect engineering	15
Effect of WS2 nano-sheets on the catalytic activity of polyaniline nano-rods based counter electrode for dye sensitized solar cell	15
Bare 3D-TiO2/magnetic biochar dots (3D-TiO2/BCDs MNPs): Highly efficient recyclable photocatalyst for diazinon degradation under sunlight irradiation	15
Theoretical treatment of interaction of pyrazinamide with graphene and h-SiC monolayer: A DFT-D3 study	15
Adsorption and sensing performances of ZnO-g-C3N4 monolayer toward SF6 decomposition products	15
Preparation and characterization of PANI: α borophene electrode for supercapacitors	15
Effect of chromium percentage doping on the optical, structural, morphological and electrical properties of ZnS:Cr thin films	14
Investigation of the electronic and thermoelectric properties of hydrogenated monolayer germanene under biaxial tensile and compressive strains by DFT approach	14
Betel leaf derived multicolor emitting carbon dots as a fluorescent probe for imaging mouse normal fibroblast and human thyroid cancer cells	14
Enhanced optical absorption of Fe-, Co- and Ni- decorated Ti3C2 MXene: A first-principles investigation	14
Density functional theory study of hydrogen sulfide adsorption onto transition metal-doped bilayer graphene using external electric fields	14
First-principles study of two-dimensional HfS2/GaS van der Waals heterostructure for photocatalytic action	14
External electric field manipulating sequential and super-exchange charge transfer in donor-bridge-acceptor system in two-photon absorption	14
Effect of vacancy defect and dopants on the sensitivity of germanene to H2CO	14
Adsorption of SF6 decomposition gases on Ag2O(1,2)-WSe2 monolayers: A DFT study	14
Effect of oxygen atoms adsorption and doping on hexagonal boron nitride	14
Strain-controlled spin-splitting in the persistent spin helix state of two-dimensional SnSe monolayer	14
First-principles study on the electronic structures and magnetic properties of InN monolayer doped with Cr, Fe, and Ni	14
First-principles calculations to investigate half-metallic band gap and elastic stability of Co(Mo,Tc)MnSb compounds	14
Electronic and adsorption properties of extended chevron and cove-edged graphene nanoribbons	14
Electronic structure and optical properties of InSe/α-AsP van der Waals heterostructure from DFT calculations	14
A study of the transition metal doped boron nitride nanosheets as promising candidates for hydrogen and formaldehyde adsorptions	14
Highly tunable and sensitive plasmon induced transparency modulator with graphene metasurface	14
Mesoscale investigation of specularity parameter impact on heat transport in graphene nanoribbon	14
Effects of doping Ti, Nb, Ni on the photoelectric properties of monolayer 2H–WSe2	14
On the correlation of the effect of defects on the microstructural, optical and magnetic properties of doped ZnO	13
The effects of transition metal adatoms on the electronic properties of stanene	13
Narrow quantum rings with general Rashba and Dresselhaus spin-orbit interactions	13
Adsorption and gas-sensing properties of Pdn-GaNNTs to C2H2 and H2 gases	13
Numerical study of optical absorption coefficients in Manning-like AlGaAs/GaAs double quantum wells: Effects of doped impurities	13
Quantum confinement and strain effects on the low-dimensional all-inorganic halide Cs2XI2Cl2 (X= Pb, Sn) perovskites: A theoretical approach for modulating electronic and optical properties	13
Magneto-transport signatures in periodically-driven Weyl and multi-Weyl semimetals	13
Interplay between stacking order and in-plane strain on the electrical properties of bilayer antimonene	13
In silico study of the adsorption of acetamiprid on functionalized carbon nanocones	13
Magneto-electronic and spin transport properties of transition metal doped antimonene nanoribbons	13
Layers engineering optoelectronic properties of 2D hexagonal GeS materials	13
Interactive behavior of graphene quantum dots towards noble metal surfaces	13
Pristine and holey graphene quantum dots: Optical properties using time independent and dependent density functional theory	13
First-principles investigation on electronic structure, magnetic states and optical properties of Mn-doped SnS2 monolayer via strain engineering	13
DFT studies of structural, electronic and optical properties of (5, 5) armchair magnesium oxide nanotubes (MgONTs)	13
Coherent effects in energy absorption in double quantum dot molecule – Metal nanoparticle hybrids	13
Optical properties and stability of new two-dimensional allotropes of PdS2, PdSe2 and PdSSe monolayers	13
Thermally tunable terahertz omnidirectional photonic bandgap and defect mode in 1D photonic crystals containing moderately doped semiconductor	13
Density functional theory study towards capability of Ga-doped boron nitride nanosheet as a nanocarrier for 3-allyl-2 selenohydantoin anticancer drug delivery	13
Optical and dielectric properties of polymer nanocomposite based on PVC matrix and Cu/Cu2O nanorods synthesized by gamma irradiation for energy storage applications	13
Boosted spintronic properties in triangular Si-based nanoflakes	13
Promising two-dimensional nanocomposite for the anode of the lithium-ion batteries. Computer simulation	13
Structural, morphological and temperature-tuned bandgap characteristics of CuS nano-flake thin films	13
Manipulation of coupling between waveguide and ring resonator in topological photonic crystals	13
Outstanding thermal conductivity and mechanical properties in the direct gap semiconducting penta-NiN2 monolayer confirmed by first-principles	13
CO2 activation on transition metal decorated graphene quantum dots: An insight from first principles	13
Graphene vs. silica coated refractory nitrides based core-shell nanoparticles for nanoplasmonic sensing	13
Superior atomic layer deposition of conformal ZnO shell on spherical SiO2 particles for enhanced photocatalytic activity	13
DFT study of the adsorption of C6H6 and C6H5OH molecules on stanene nanosheets: Applications to sensor devices	12
Charge transport in nnn and npn phosphorene junctions: The use of phosphorene pn junctions as rectifiers	12
First-principles study on phonon transport properties of MoTe2 and WTe2 monolayers in different phases	12
Band alignments tuned by spontaneous polarization in two-dimensional MoS2/GaN van der Waals heterostructures	12
Design and analysis of a polarization-independent and incident angle insensitive triple-band metamaterial absorber	12
Type II GaS/AlN van der Waals heterostructure: Vertical strain, in-plane biaxial strain and electric field effect	12
Capture and catalytic conversion of lithium polysulfides by metal-doped MoS2 monolayers for lithium–sulfur batteries: A computational study	12
CNT-sandwiched copper composites as super thermal conductors for heat management	12
Influence of anharmonicity and interlayer interaction on Raman spectra in mono- and few-layer MoS2: A computational study	12
The lithium-ion battery: Study of alternative current conduction mechanisms on the Li3PO4 - based solid electrolyte	12
Selective gas sensor based on bilayer armchair graphene nanoribbon	12
Citrate functionalized Ag NPs-polyethylene glycol nanocomposite for the sensitive and selective detection of mercury (II) ion, photocatalytic and antimicrobial applications	12
Half-metallic of non-metal-adsorbed AsP and multifunctional two-dimensional spintronic device of impure AsP from first-principles calculations	12
Experiments combined with first-principles calculations to compare the enhancement of Ag-doping and -functionalization on the sensing properties of two-dimensional SnS	12
Density functional study on hybrid h-BN/graphene atomic chains	12
Photogalvanic effects in Janus monolayer In2SSe with vacancy defects	12
Theoretical study on the electronic structure, optical and photocatalytic properties of type-II As/CdO van der Waals heterostructure	12
First-principles study of X(O, Se, Te)-doped monolayer MoS2 for Hg0 adsorption	12
A study of ordered La-doped SnO2 nanofibers in light of their length and gas sensitivity	12
Density functional study on hybrid graphene/h-BN 2D sheets	12
Structures and properties of Co13−xCux (x=0–13) nanoclusters and their interaction with pyridinic N3-doped graphene nanoflake	12
A theoretical study of atmospheric pollutant NO2 on as-doped monolayer WS2 based on DFT method	12
Tuning the crystallinity of ZrO2 nanostructures derived from thermolysis of Zr-based aspartic acid/succinic acid MOFs for energy storage application	12
Sensing property of TM (Ti, Mn, Mo) doped Janus WSSe monolayer upon vented gases of lithium-ion battery thermal runaway	12
Graphene-like BC3 and NC3 flakes as promising drug delivery systems	11