OOIR: Observatory of International Research

Papers

(The TQCC of Surface Science is 5. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-09-01 to 2025-09-01.)

Article	Citations
Editorial Board	675
Core-level photoelectron spectroscopy study on the buffer-layer formed in approximately atmospheric pressure argon on n-type and semi-insulating SiC(0001)	38
Temperature-dependent friction coefficient on flat graphite plane	32
Editorial Board	29
Theoretical insights into CO oxidation activities on CeO2(111) steps	29
Methanol adsorption and dissociation on GaP(110) studied by ambient pressure X-ray photoelectron spectroscopy	27
Interaction between electric dipoles on co-adsorption energy of CO molecules and O atoms on Rh surface	24
Adsorption, self-assembly and self-metalation of tetra-cyanophenyl porphyrins on semiconducting CoO(100) films	23
Electronic band structures of group-IV two-dimensional materials: Spin-orbit coupling and group theoretical analysis	23
Understanding the effects of manganese and zinc promoters on ferrite catalysts for CO2 hydrogenation to hydrocarbons through colloidal nanocrystals	20
Pd, Ag and Rh doped (8,0) single-walled carbon nanotubes (SWCNTs): A DFT study on furan adsorption and detection	20
LAMMPS molecular dynamics simulation of methane decomposition on nickel thin films at high temperatures	20
Adsorption of dihalogen molecules X2 (X = F, Cl, Br and I) on the Fe/W(110) substrate	19
ZnO(101	19
Study on the flotation mechanism of cobalt-bearing pyrite: A DFT calculation	19
Editorial Board	19
A simulated-TPD study of H2 desorption on metal surfaces	18
DFT Study of adsorption and diffusion of H2O	18
Nonmetal (B, C, N, O, F) doping regulates the electron distribution of monolayer MoS2 for Hg0 adsorption	18
Effects of co-adsorbed water on different bond cleavages involved in acetic acid decomposition on Pt (111)	17
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
Surface Debye temperature determination from LEED: correlation to defects in epitaxial films	16
Editorial Board	15
A first-principles and mesoscopic model analysis for pair, trio, and quarto interactions of Au adatoms on Ag(100)	15

Adsorption of benzene on defective Pt surfaces: A DFT study	15
Reconstruction of calcite (10.4) manifests itself in the tip-assisted diffusion of water	15
Atomic structure and peculiarities of the electronic properties of Br layers on Ag(111) at different coverages	14
ReaxFF MD simulation on the deterioration of Fe2O3 passivation film in the hydrochloric acid coupled with mechanical processing	14
A comparative analysis of different van der Waals treatments for molecular adsorption on the basal plane of 2H-MoS2	14
Study on the relationship between Fe3O4 fouling and NiFe2O4 oxide layer in the secondary circuit of nuclear steam generator	14
Structural investigation of flat overlayer and surface alloy of Sn on Mo(110)	14
Electronic and magnetic properties of Mn-doped and Mn-X (F, Cl, Br, I) co-doped modulated monolayer SnSe2	14
Ordering of copper phthalocyanine films on functionalized Si(111)	14
Editorial Board	14
Editorial Board	13
Epitaxial fabrication of topological Bi-Sb alloy films by surface alloying of Sb nanofilms	13
A first principles study on the adsorbate-adsorbate interactions on the CdTe(111) surface with Cd, Te, Zn, and Se adatoms	13
Revealing the H-bonding nature of water bilayers on Au(111)	12
Interfacial molecular structure and orientation evolution of the polystyrene under confinement during annealing revealed by sum frequency generation vibrational spectroscopy	12
Scanning tunneling microscopy and spectroscopy of NiTe2	12
Editorial Board	12
Editorial Board	11
Bismuth as a buffer layer for metal contact with silicon carbide studied by In situ photoelectron spectroscopy	11
The study of water wettability on solid surfaces by molecular dynamics simulation	11
Adsorption and disproportionation of carbon monoxide on faceted-gold surfaces and edges	11
The adsorption and XPS of triphenylamine-based organic dye molecules on rutile TiO2(110) prepared by UHV-compatible electrospray deposition	11
Theoretical study on surface stability, distortion and oxygen adsorption behavior of TiZrHfNb high entropy alloys	11
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	11
Desorption activation energy of hydrogen from the Si (111)1x1: H surface studied by optical sum frequency generation and second harmonic generation	11
The CO oxidation on Mn atom embedded in N vacancy of C3N monolayer: A DFT-D study	11
In-situ near-ambient-pressure photoelectron spectroscopy investigations of high-work-function MoO3 on 4H-SiC(0001)	10
Surface grain orientation mapping using grazing incidence X-ray diffraction	10
Modeling the phase boundaries in Cu(100)-(2√2 × √2)R45°-O missing row reconstruction (MRR) structure	10
Transforming the electronic properties of phosphorene through charge transfer superatomic doping	10
Adsorbate-induced effects on the H− ion collisions with Na/Ag(111) and K/Ag(111) surfaces	10
Reactivity of graphene-supported Co clusters	10
Investigation of (001), (010), and (100) surface termination and surface energies of the Zintl Ca5Ga2Sb6	10
Adsorption of trimethylaluminum on period 4 and 5 transition metal surfaces	9
Growth kinetics of a perfectly flat Bi(110) film during low-temperature deposition and subsequent annealing	9
First principles modeling of CO2 adsorption on (100), (010), and (001) surfaces of wollastonite for applications in enhanced rock weathering	9
Preface	9
Preface - Young Investigator Special issue 2022	9
A density functional theory study of thiophene and pyridine adsorption on Pt/Rh-doped Cu (100) surface	9
Theoretical evaluation of M/H-magadiite and Al modified M/H-[Al]-magadiites single-atom catalysts (M = Ag, Au, Pd, and Pt)	9
Adsorption behaviour of CF4 and COF2 gas on the GaN monolayer doped with Pt catalytic: A first-principles study	9
Rationalizing the “anomalous” electrochemical Stark shift of CO at Pt(111) through vibrational spectroscopy and density-functional theory calculations	9
Theoretical study on the formation of diamond germanium vacancy color center	9
An STM study on the diffusion of O atoms on a CO-covered Ru(0001) surface—The role of domain boundaries	9
Self-assembled and crystalline films of rubrene grown on Cd(0001) surface	9
The effect of biaxial strain on the optoelectronic properties of a single-layer 2H-GaS system with S vacancies	8
Observing an ordered surface phase by B deposition on Cu(110)	8
The rise of electrochemical surface science: From in situ interface structure to operando dynamics	8
Corrigendum to Functionalized Silica Nanoparticles within a Multicomponent Oil Emulsion by molecular dynamic study	8
Coverage-dependent study of nickel tetraphenyl-porphyrin on Au(332) and Au(788)	8

“Single-atom” catalysis: An opportunity for surface science	8
Theoretical study on the effects of alloying elements on oxygen-adsorption properties of the Ti2AlNb surface	8
First-principles study of NO adsorption on defective hexagonal boron nitride monolayer	8
Formation of germanene with free-standing lattice constant	8
Ab initio thermodynamic and kinetic modeling of molecular adsorption and reaction properties on PuO2(111) surface under exposure to environmental gases	8
On-surface stepwise dehalogenative homocoupling of 2,7-dibromotriphenylene on Au(111) surface	8
Preface - Young Investigator 2023	8
Adsorption behavior of Cl2 on TiC0.89O0.11(001) surface based on the first principle calculation	8
Adsorption and reaction of an alkyne molecule on diverse oxygen-reconstructed Cu(110) surfaces	8
Hydrogen complexes on single-atom alloys: A combined DFT – Kinetic Monte Carlo study	8
Au adsorption on stepped Si(hhk)-Au surfaces	8
Strain effects on the adsorption behavior of PtS2 monolayer as anchoring material for lithium-sulfur batteries: A DFT study	8
Reactivity of a model SCILL: Influence of co-adsorbed [C2C1Im][OTf] on the dehydrogenation of dimethylamine on Pt(111)	7
Anchoring of phthalic acid on MgO(100)	7
Charge transfer at interfaces of copper clusters on TiO2(110) and SiOx	7
Scanning tunneling microscopy of MnO ultrathin films on Au(111)	7
Pb/NiSi2 atomic sandwich on Si(111)	7
Editorial Board	7
DFT-based mesoscopic interactions of N adatoms on Cu(100)	7
The mechanism of catalytic degradation of secnidazole by semiconductor titanium dioxide: A density functional theory study	7
Adsorption mechanisms over ZrO2-modified Cu(1 1 1) surface for X (CH3OH, H2O and CO): A DFT+U Study	7
Heterogeneous catalytic reaction of NO2 to HONO on hematite	7
Adsorption and sensing performances of transition metal doped ZnO monolayer for CO and NO: A DFT study	7
Role of oxygen vacancies in CO2 methanation over zirconia: A mechanistic DFT and microkinetic study	7
Modeling the self-assembly of L-cysteine molecules on the Au(111) surface: A lattice model approach	7
Stability and dissolution of single-crystalline iron oxide thin films in electrochemical environments	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	7
Boron nanostructure formation on Mo(112) surface	6
Theoretical study of gas-sensitive properties of O+Pd13 clusters	6
Surface transformation thermodynamics of alkaline earth carbonates using first-principles calculations	6
The effects of chlorine-containing species on cinnabar: A density functional theory investigation into the surface adsorption reactivity of mercury sulfide	6
Oxygen induced faceting of Cu(911)	6
Effect of hydrogen concentration on the friction evolution mechanism of few-layer graphene: A molecular dynamics study in nanoscratch processes	6
Bilayer-by-bilayer growth of vanadyl phthalocyanine molecules on Bi(111) surface	6
Investigation of coverage dependence of the stretching frequency of CO adsorbed on Pd surfaces at low coverage limits	6
Properties and self-adsorptions for ZrC low-index surfaces: A first-principles study	6
Significance of different dopamine species as reducing agents of graphene oxide: Fundamental aspects	6
First-principles calculations of Mn incorporation into GaAs(110)	6
Understanding ZnO surface defects from first-principles simulation	6
Ag growth on the Ag2Bi Rashba alloy	6
H2O-based atomic layer deposition mechanism of aluminum oxide using trimethylaluminum	6
CO2 adsorption on a K-promoted MgO surface: A DFT theoretical study	6
Dual decomposition pathways for L-aspartic acid on Ni(100)	6
Functionalized silica nanoparticles within a multicomponent oil emulsion by molecular dynamic study	6
Effect of surface on internal structure and apparent lattice parameter of nanocrystalline SiC grains modelled by molecular dynamics simulations	6
Sheet doping for improved sensitivity of HCl on MoTe2	6
Growth and atomic structure of twisted bilayer graphene formed on Ni(111) by segregation	6
Friction characteristics in graphene/MoS2 heterojunction	5
Renewable adsorption/desorption of sarin on TM-doped CNTs: First principle calculations	5
Editorial Board	5
STM study of surface restructuring of oxidized Cu(100)	5
Imaging three phases of iodine on Ag (111) using low-temperature scanning tunneling microscopy	5
Elemental Distribution and Melting Characteristics of FeNi nanoparticles on W(110) surfaces	5
The investigation of initial decomposition paths of methyltrichlorosilane on (0001) and (0001	5
DFT study of electronic properties of N-doped ZnO and ZnO/Cu(111) bilayer films	5
Erratum to “Reactivity of graphene-supported Co clusters”	5
Growth of an Fe buckled honeycomb lattice on Be(0001)	5
Simulation of metal-supported metal-Nanoislands: A comparison of DFT methods	5
A type-II two-dimensional Blue-P/Al2SO van der Waals heterostructure with the potential for photovoltaics and photocatalysis applications	5
Functionalized semiconducting carbon nanotube arrays for gas phase explosives detection	5
Editorial Board	5
Local effects during ion scattering on adsorbate-covered surfaces	5
Surface functionalization of polypropylene nanoparticles in a pulsed low pressure air plasma discharge	5
The evolution of model Rh/Fe3O4(001) catalysts in hydrogen environments	5
Adsorption of organic molecules on titania: The advantages of using bond orders to gauge interaction strength	5
Straight sections of step edges on a NiAl(110) curved single crystal surface used to calculate an approximation of step formation energy	5
Enhanced OER activity of FePc molecule by substrate effects: A first principles study	5
Editorial Board	5
A first principles analysis of oxidation in titanium alloys with aluminum and vanadium	5
Adhesion properties of the B- and N-doped graphene/Fe(110) interface	5
First-principles calculation of the resistance to lead-bismuth eutectic corrosion on Fe (111) surface of austenitic stainless steel	5
Adsorption and self-assembly of hexa-tert-butyl-hexa-peri-hexabenzocoronene on the si(111)-3	5
Comparison of different approaches to texturing monocrystalline silicon wafers for solar cell applications	5
Adsorption of noble fission gas atoms Xe and Kr on Ti- and V-based bare MXenes: An ab-initio DFT investigation	5
Growth and Ag-encapsulation of Pt islands on Ag(111) at room temperature	5