Surface Science

Article	Citations
Editorial Board	36
Temperature-dependent friction coefficient on flat graphite plane	32
Editorial Board	27
Core-level photoelectron spectroscopy study on the buffer-layer formed in approximately atmospheric pressure argon on n-type and semi-insulating SiC(0001)	24
Adsorption, self-assembly and self-metalation of tetra-cyanophenyl porphyrins on semiconducting CoO(100) films	24
Methanol adsorption and dissociation on GaP(110) studied by ambient pressure X-ray photoelectron spectroscopy	23
Interaction between electric dipoles on co-adsorption energy of CO molecules and O atoms on Rh surface	23
Adsorption of dihalogen molecules X2 (X = F, Cl, Br and I) on the Fe/W(110) substrate	23
Theoretical insights into CO oxidation activities on CeO2(111) steps	22
Study on the flotation mechanism of cobalt-bearing pyrite: A DFT calculation	22
Pd, Ag and Rh doped (8,0) single-walled carbon nanotubes (SWCNTs): A DFT study on furan adsorption and detection	21
Understanding the effects of manganese and zinc promoters on ferrite catalysts for CO2 hydrogenation to hydrocarbons through colloidal nanocrystals	20
DFT study of transition metal-doped HfS2 monolayers for detection of thermal runaway gases in lithium-ion batteries	19
Editorial Board	19
A first-principles and mesoscopic model analysis for pair, trio, and quarto interactions of Au adatoms on Ag(100)	19
Surface Debye temperature determination from LEED: correlation to defects in epitaxial films	19
ZnO(101	19
Temperature-dependent optical transmittance and gas sensing mechanism of MnSnO3 nanocrystalline thin-films through the nebulizer spray pyrolysis (NSP) technique	18
Adsorption of benzene on defective Pt surfaces: A DFT study	17
Effects of co-adsorbed water on different bond cleavages involved in acetic acid decomposition on Pt (111)	17
Tunable optical and electronic properties of monolayer MoS	16
Surface science studies on electron-induced reactions of NH3 and their perspectives for enhancing nanofabrication processes	16
Which crystal structure is present on the surface of Ti2<	16
Reconstruction of calcite (10.4) manifests itself in the tip-assisted diffusion of water	15
A simulated-TPD study of H2 desorption on metal surfaces	15

Nonmetal (B, C, N, O, F) doping regulates the electron distribution of monolayer MoS2 for Hg0 adsorption	15
Electronic and magnetic properties of Mn-doped and Mn-X (F, Cl, Br, I) co-doped modulated monolayer SnSe2	14
Editorial Board	14
Editorial Board	14
Atomic structure and peculiarities of the electronic properties of Br layers on Ag(111) at different coverages	14
Structural investigation of flat overlayer and surface alloy of Sn on Mo(110)	14
Selenium (VI) removal by volcanic ash material characterized by X-ray absorption spectroscopy	13
A comparative analysis of different van der Waals treatments for molecular adsorption on the basal plane of 2H-MoS2	13
Ordering of copper phthalocyanine films on functionalized Si(111)	13
ReaxFF MD simulation on the deterioration of Fe2O3 passivation film in the hydrochloric acid coupled with mechanical processing	13
A first principles study on the adsorbate-adsorbate interactions on the CdTe(111) surface with Cd, Te, Zn, and Se adatoms	12
Comparative theoretical study of Al- and Ga-doped T-graphene for enhanced NO sensing	12
Editorial Board	12
Editorial Board	12
Editorial Board	12
Interfacial molecular structure and orientation evolution of the polystyrene under confinement during annealing revealed by sum frequency generation vibrational spectroscopy	12
Relativistic effects at surfaces and interfaces	12
Study on the relationship between Fe3O4 fouling and NiFe2O4 oxide layer in the secondary circuit of nuclear steam generator	12
Iodine adsorption on the Ag(110) surface: Uniaxial compression and iodide growth	12
Effect of single atom Platinum (Pt) doping and facet dependent on the electronic structure and light absorption of Lanthanum Titanium Oxide (La2Ti2O7): A Density Functional Theory study	12
Identification of environment-dependent dominant and metastable doped NiO(110) surfaces	11
Adsorption and disproportionation of carbon monoxide on faceted-gold surfaces and edges	11
The CO oxidation on Mn atom embedded in N vacancy of C3N monolayer: A DFT-D study	11
Adsorbate-induced effects on the H− ion collisions with Na/Ag(111) and K/Ag(111) surfaces	11
The adsorption and XPS of triphenylamine-based organic dye molecules on rutile TiO2(110) prepared by UHV-compatible electrospray deposition	10
Revealing the H-bonding nature of water bilayers on Au(111)	10
Desorption activation energy of hydrogen from the Si (111)1x1: H surface studied by optical sum frequency generation and second harmonic generation	10
Scanning tunneling microscopy and spectroscopy of NiTe2	10
Theoretical study on surface stability, distortion and oxygen adsorption behavior of TiZrHfNb high entropy alloys	10
Bismuth as a buffer layer for metal contact with silicon carbide studied by In situ photoelectron spectroscopy	10
Reactivity of graphene-supported Co clusters	10
An STM study on the diffusion of O atoms on a CO-covered Ru(0001) surface—The role of domain boundaries	9
Modeling the phase boundaries in Cu(100)-(2√2 × √2)R45°-O missing row reconstruction (MRR) structure	9
Transforming the electronic properties of phosphorene through charge transfer superatomic doping	9
Surface grain orientation mapping using grazing incidence X-ray diffraction	9
First-principles prediction of a novel 2D InAs/PtSe2 direct Z-scheme van der Waals heterojunction for overall water-splitting	9
Theoretical evaluation of M/H-magadiite and Al modified M/H-[Al]-magadiites single-atom catalysts (M = Ag, Au, Pd, and Pt)	9
First principles modeling of CO2 adsorption on (100), (010), and (001) surfaces of wollastonite for applications in enhanced rock weathering	9
Growth kinetics of a perfectly flat Bi(110) film during low-temperature deposition and subsequent annealing	9
Editorial Board	9
Adsorption behaviour of CF4 and COF2 gas on the GaN monolayer doped with Pt catalytic: A first-principles study	9
H2 dissociation barrier governed by antibonding-state center in defective graphene-supported Cu19 cluster	9
In-situ near-ambient-pressure photoelectron spectroscopy investigations of high-work-function MoO3 on 4H-SiC(0001)	9
Boronic acid adsorption on TiO2 rutile (110): A DFT+U study	9
Rationalizing the “anomalous” electrochemical Stark shift of CO at Pt(111) through vibrational spectroscopy and density-functional theory calculations	9
A density functional theory study of thiophene and pyridine adsorption on Pt/Rh-doped Cu (100) surface	9
Theoretical study on the formation of diamond germanium vacancy color center	9
Preface - Young Investigator 2023	8
The effect of biaxial strain on the optoelectronic properties of a single-layer 2H-GaS system with S vacancies	8
Adsorption of trimethylaluminum on period 4 and 5 transition metal surfaces	8

Adsorption and sensing SF6 decomposed gases; SO2, SO2F2, SOF2, H2S, and HF on Fe and Co decorated monolayer BC6N. First-principles study	8
Adsorption and reaction of an alkyne molecule on diverse oxygen-reconstructed Cu(110) surfaces	8
Editorial Board	8
Preface	8
Observing an ordered surface phase by B deposition on Cu(110)	8
“Single-atom” catalysis: An opportunity for surface science	8
First-principles study of NO adsorption on defective hexagonal boron nitride monolayer	8
Preface - Young Investigator Special issue 2022	8
Adsorption and gas-sensitive properties of TM (Rh, Pd, Pt) modified Ti3C2F2 for SO2, NO2 and NH3 gas molecules: A DFT study	8
The rise of electrochemical surface science: From in situ interface structure to operando dynamics	8
Theoretical study on the effects of alloying elements on oxygen-adsorption properties of the Ti2AlNb surface	8
Adsorption behavior of Cl2 on TiC0.89O0.11(001) surface based on the first principle calculation	8
Anchoring of phthalic acid on MgO(100)	7
Reactivity of a model SCILL: Influence of co-adsorbed [C2C1Im][OTf] on the dehydrogenation of dimethylamine on Pt(111)	7
Pb/NiSi2 atomic sandwich on Si(111)	7
Adsorption mechanisms over ZrO2-modified Cu(1 1 1) surface for X (CH3OH, H2O and CO): A DFT+U Study	7
Strain effects on the adsorption behavior of PtS2 monolayer as anchoring material for lithium-sulfur batteries: A DFT study	7
Stability and dissolution of single-crystalline iron oxide thin films in electrochemical environments	7
Heterogeneous catalytic reaction of NO2 to HONO on hematite	7
Corrigendum to Functionalized Silica Nanoparticles within a Multicomponent Oil Emulsion by molecular dynamic study	7
Scanning tunneling microscopy of MnO ultrathin films on Au(111)	7
Ab initio thermodynamic and kinetic modeling of molecular adsorption and reaction properties on PuO2(111) surface under exposure to environmental gases	7
Au adsorption on stepped Si(hhk)-Au surfaces	7
The mechanism of catalytic degradation of secnidazole by semiconductor titanium dioxide: A density functional theory study	7
Adsorption and sensing properties of Pdn (n=1- 4) doped Janus WSSe for characteristic gases (CO, CO2, CH4, C2H4) in power transformer: A DFT study	7
Coverage-dependent study of nickel tetraphenyl-porphyrin on Au(332) and Au(788)	7
Charge transfer at interfaces of copper clusters on TiO2(110) and SiOx	7
DFT-based mesoscopic interactions of N adatoms on Cu(100)	7
Self-assembled and crystalline films of rubrene grown on Cd(0001) surface	7
On-surface stepwise dehalogenative homocoupling of 2,7-dibromotriphenylene on Au(111) surface	7
Modeling the self-assembly of L-cysteine molecules on the Au(111) surface: A lattice model approach	7
Role of oxygen vacancies in CO2 methanation over zirconia: A mechanistic DFT and microkinetic study	7
Formation of germanene with free-standing lattice constant	7
Hydrogen complexes on single-atom alloys: A combined DFT – Kinetic Monte Carlo study	7
First-principles study on the adsorption behavior of ZnO and Mn-doped ZnO with CO and NH3 gases	7
Selective hydrogenation of acetylene to ethylene: Performance of a Pt monolayer over an α-WC(0001) surface for binding and hydroconversion of acetylene	7
Theoretical investigation of NH3 nitridation on Cl-terminated Si(100)-2 × 1 surfaces	6
Sheet doping for improved sensitivity of HCl on MoTe2	6
The effects of chlorine-containing species on cinnabar: A density functional theory investigation into the surface adsorption reactivity of mercury sulfide	6
Dual decomposition pathways for L-aspartic acid on Ni(100)	6
Understanding ZnO surface defects from first-principles simulation	6
Surface transformation thermodynamics of alkaline earth carbonates using first-principles calculations	6
Editorial Board	6
Effect of surface on internal structure and apparent lattice parameter of nanocrystalline SiC grains modelled by molecular dynamics simulations	6
Dimer adsorption and identification for various spiropyran-based molecular switches using Molecular Mechanics calculations	6
CO2 adsorption on a K-promoted MgO surface: A DFT theoretical study	6
First-principles calculations of Mn incorporation into GaAs(110)	6
Adsorption of ethyl ether on graphene/silicon – Theory and experiment	6
Ag growth on the Ag2Bi Rashba alloy	6
Oxygen induced faceting of Cu(911)	6
Functionalized silica nanoparticles within a multicomponent oil emulsion by molecular dynamic study	6
Adsorption and sensing performances of transition metal doped ZnO monolayer for CO and NO: A DFT study	6
Investigation of coverage dependence of the stretching frequency of CO adsorbed on Pd surfaces at low coverage limits	6
Phosphonic acid adsorption on α	6
DFT study of electronic properties of N-doped ZnO and ZnO/Cu(111) bilayer films	5
Adsorption of noble fission gas atoms Xe and Kr on Ti- and V-based bare MXenes: An ab-initio DFT investigation	5
Straight sections of step edges on a NiAl(110) curved single crystal surface used to calculate an approximation of step formation energy	5
Aldol Condensation of Acetaldehyde on Oxidized and Sputtered Mo(100) surfaces	5
Theoretical study of gas-sensitive properties of O+Pd13 clusters	5
Properties and self-adsorptions for ZrC low-index surfaces: A first-principles study	5
Friction characteristics in graphene/MoS2 heterojunction	5
First-principles calculation of the resistance to lead-bismuth eutectic corrosion on Fe (111) surface of austenitic stainless steel	5
The effect of Al component on the adsorption structure of doped precursors on the NH2covered AlxGa1-xN(0001) surfaces	5
A type-II two-dimensional Blue-P/Al2SO van der Waals heterostructure with the potential for photovoltaics and photocatalysis applications	5
A first principles analysis of oxidation in titanium alloys with aluminum and vanadium	5
Local effects during ion scattering on adsorbate-covered surfaces	5
Erratum to “Reactivity of graphene-supported Co clusters”	5
Boron nanostructure formation on Mo(112) surface	5
Adsorption of organic molecules on titania: The advantages of using bond orders to gauge interaction strength	5
Significance of different dopamine species as reducing agents of graphene oxide: Fundamental aspects	5
Growth and Ag-encapsulation of Pt islands on Ag(111) at room temperature	5
Elemental Distribution and Melting Characteristics of FeNi nanoparticles on W(110) surfaces	5
Adhesion properties of the B- and N-doped graphene/Fe(110) interface	5
Imaging three phases of iodine on Ag (111) using low-temperature scanning tunneling microscopy	5
Functionalized semiconducting carbon nanotube arrays for gas phase explosives detection	5
Growth and atomic structure of twisted bilayer graphene formed on Ni(111) by segregation	5
Bilayer-by-bilayer growth of vanadyl phthalocyanine molecules on Bi(111) surface	5
Reproducibility of magnetron-sputter co-deposited ZrCu metallic glasses	5
The evolution of model Rh/Fe3O4(001) catalysts in hydrogen environments	5
Growth of an Fe buckled honeycomb lattice on Be(0001)	5

Effect of hydrogen concentration on the friction evolution mechanism of few-layer graphene: A molecular dynamics study in nanoscratch processes	5
H2O-based atomic layer deposition mechanism of aluminum oxide using trimethylaluminum	5
Comparison of different approaches to texturing monocrystalline silicon wafers for solar cell applications	5
Renewable adsorption/desorption of sarin on TM-doped CNTs: First principle calculations	5
Surface functionalization of polypropylene nanoparticles in a pulsed low pressure air plasma discharge	5
Enhanced OER activity of FePc molecule by substrate effects: A first principles study	5
Adsorption and dissociation of Cl2 on CuO(111) surface with first-principles study	4
The extended Ising model Hamiltonian for order-disorder phase transition on the clean Si (001) surface	4
SIMS studies of hydrogen interaction with the TiFe alloy surface: hydrogen influence on secondary ion yields	4
Editorial Board	4
Corrigendum to “Electronic band structures of group-IV two-dimensional materials: Spin-orbit coupling and group theoretical analysis” [Surface Science 714 (2021) 121917]	4
Exploring the atomic-scale dynamics of Fe3O4(001) at catalytically relevant temperatures using FastSTM	4
Quantum engineering the adsorption behavior and sensitivity of GaNNs toward CO gas by hetero metal CrM-GaNNSs (M = Mn, Fe, Co, Cu and Zn) co-doping: a D-PBE/DNP approach	4
Insight into the effect of alloying on the adsorption of benzene on Ag(100) surface: DFT calculations	4
STM study of surface restructuring of oxidized Cu(100)	4
Analyzing the capture of volatile polonium-210 in lead-bismuth eutectic coolant environments on metallic Pb, Pt, Au, and Cu (1 1 1) adsorption surfaces based on density functional theory	4
Systematic computational study of oxide adsorption properties for applications in photocatalytic CO2 reduction	4
CO–induced roughening of Cu(111): formation and detection of reactive nanoclusters on metal surfaces	4
Water activation and reaction with ethane to form CO2(g) and H2(g) on a Mn/Au surface	4
Bandgap reduction at wrinkles on the cleavage surfaces of GeSe single crystals	4
Editorial Board	4
Atomic-level insights into single-layer Co-promoted MoS2 clusters supported on a rutile TiO2(110) model oxide support	4
Growth, structure, and morphology of ultra-thin tin oxide phases forming on Pt 4
Epitaxial growth of highly-aligned MoS2 on c-plane sapphire	4
Editorial Board	4
Possibility of chemisorption for benzene on stepped surface of coinage metals	4
Theoretical investigation of transition metal-doped CrSe₂ monolayer as a high-performance gas sensor for CO, SO₂, NO, and NO₂ detection	4
Kinetics and the crystallographic structure of bismuth during liquefaction and solidification on an insulating substrate	4
Ligand-functionalized surfaces for chemoselective heterogeneous catalysis	4
Structural, magneto-electronic, and electric transport properties of pentagonal PdSe	4
Theoretical computation of the phononic vibrational dynamics of Au3Pd, AuPd, and AuPd3 nanostructures at the [AunPdm]/Au(110) bimetallic ordered surface alloy systems	4
Editorial Board	4
Geometric effect of high-resolution electron energy loss spectroscopy on the identification of plasmons: An example of graphene	4
The type-II PtSe2/WS2 van der Waals heterostructure: A high efficiency water-splitting photocatalyst	4
Single atom alloys 2.0: Exploiting undercoordination for stronger dissociative CH4 chemisorption	4
Electronic fingerprints for diverse interactions of methanol with various Zn-based systems	4
The investigation of initial decomposition paths of methyltrichlorosilane on (0001) and (0001	4
DFT study of small Re-Pt clusters supported on γ-Al2O3	4
Synthesis of Van der Waals stretched antimonene via remote epitaxy	4
Alteration of the inter-chain distance between Au atomic wires on Si(111) induced by Tl adsorption	4
Steps and catalytic reactions: CO oxidation with preadsorbed O on Rh(553)	3
High-throughput theoretical optimization of the selective reduction reaction of NO with NH3 on metal-organic frameworks	3
Methanol gas sensing properties of transition metals (V, Cr, and Mn)-doped BC3 flake	3
Asymmetric distortion of orbital hybridization at halogen-doped IrO2 monolayers for acidic water electrolysis	3
First principles study on the early nucleation process of carbon nanotubes on Ni (1 1 1) surface	3
Nitrogen vacancies in monolayer WSi2N4 for hydrogen evolution reaction: A first-principles study	3
A comparative analysis of the vibrational and structural properties of nearly incommensurate overlayer systems	3
Structural analysis and stable length of Au induced nanowires on Ge(001)	3
Editorial Board	3
Time-resolved ambient pressure x-ray photoelectron spectroscopy: Advancing the operando study of ALD chemistry	3
Editorial Board	3
A systematic investigation on the surface properties of Ti2AlC via first-principles calculations	3
Adsorption of CO2 on N-doped carbon materials: the effect of the subsurface layer	3
Feasibility of Mo atom anchoring in h-BP monolayer for electric reduction of NO molecule	3
Editorial Board	3
Tuning the Product Selectivity of Single-Atom Alloys by Active Site Modification	3
Computational insight into the selectivity of γ-valerolactone hydro	3
Nitrogen, oxygen, and hydrogen bonding and thermal stability of ambient exposed nitrogen-terminated H-diamond (111) surfaces studied by XPS and HREELS	3
LEED-IV analyses of tellurium adsorbate structures on iridium and gold surfaces	3
Fe-Phthalocyanine on Cu(111) and Ag(111): A DFT+vdWs investigation	3
Abnormal adsorption of lithium on the graphene surface of graphene/dT(H)-MoS2 heterostructures	3
The reaction of thiols on a model gold catalyst leads to the formation of thiolates capable of self-coupling and of displacing carboxylic acids	3
Editorial Board	3
Mechanistic study of CO2 hydrogenation to C1 products on molybdenum step site	3
Atomic Structures of Single-Layer Nanoislands of Ni, Cu, Rh, Pd, Ag, Ir, Pt, Au Supported on Au(111) from Density Functional Theory Calculations	3
Electronic and vibrational spectra of substitutional pair-defects of Boron and Nitrogen atoms in graphene and graphane	3
Crystal facet-dependent product selectivity of CO2 reduction reaction on indium revealed by first-principles calculations	3
A novel MoS2/Pd5 nanocluster heterojunction system with improved surface reactivity for efficient gas sensing: A DFT study	3
Analysis of the adsorption characteristics of gasification pollutants (HCl, COS, H2S, NH3 and HCN) on Ti-anchored graphene substrates	3
Effect of embedded Cr on the structural phase transition of In/Si(111)4 × 1	3
Surface Gibbs free energy analyses of Sr segregation in lanthanum strontium iron oxide	3
Analytical approach for the collective diffusion: Multicomponent mixture of particles coadsorbed on a multisite square lattice	3
Impact of Ni doping on the catalytic activity and stability of RuO2 electrocatalyst for the oxygen evolution reaction in acidic media	3
First-principles study of different oxidation process on Al(111) and Cu(111): Metal pulled-off effect	3
Editorial Board	3
Bi layers on the Mo(112) surface: A DFT study	3
Editorial Board	3
Editorial Board	3
DFT study on TiO2 facet-dependent As(III) oxidation process: Importance of As(IV) species	3
Effect of tensile strain on photoelectric properties of C-doped SnSe2 system	3
Surface band structure of the reconstructed Ir(001)-(5	3
Theoretical study of the initial stages of Ba growth on Si(100) substrate	3
Flexible contact and friction of suspended h-BN dominated by adhesion	3
Incorporation of Fe3+ ions into the W6+ and N3‒ doped TiO2: Exploration of crucial role of Fe3+ dopant ion and correlation of adsorption characteristics with reaction dynamics	3
Theoretical study on adsorption and dissociation of Li3BO3 and LiBO2 molecules on Zr(0 0 0 1)	3
First principles calculation on cohesion properties of PdCu-Mo2C interfaces	3
Density functional theory study of trends in water dissociation on oxygen-preadsorbed and pure transition metal surfaces	3
The adsorption of oxygen on bimetallic Pd3M2 clusters (M = Ag, Au, Co, Cu, Mn, Ni, Pt, and Ru) with and without alumina support by density functional theory	3
Adsorbate-induced adatom formation on Au-Cu bimetallic alloys and its possible consequences for CO2 electroreduction	3
Influence of the surface reconstruction on self-assembly of diazaphenalene on Au(111)	3
Graphene oxide as a potential carrier or remover for flotation collectors: A molecular dynamics study	3
Role of facet in the competitive pathway of ethylene epoxidation	3
Hole-mediated ferromagnetic coupling in two-dimensional CrI3/VSe2 van der Waals heterostructures	3
Infrared Reflection-Absorption Spectroscopy (IRRAS) applied to oxides: Ceria as a case study	3
Insights into the interaction of nitrobenzene and the Ag(111) surface: A DFT study	3