Physical Chemistry Chemical Physics

Papers
(The H4-Index of Physical Chemistry Chemical Physics is 44. 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 2020-03-01 to 2024-03-01.)
ArticleCitations
A first-principles exploration of the conformational space of sodiated di-saccharides assisted by semi-empirical methods and neural network potentials825045808
Computational approach to enhance thermoelectric performance of Ag2Se by S and Te substitutions809120313
A new charge transfer pathway in the MoSe2–WSe2 heterostructure under the conditions of B-excitons being resonantly pumped807416368
Au9 nanocluster adsorption and agglomeration control through sulfur modification of mesoporous TiO2758133037
Poly(dimethylsiloxane) as a room-temperature solid solvent for photophysics and photochemistry540160058
Efficient evaluation of electrostatic potential with computerized optimized code648
Lithium ion battery degradation: what you need to know318
Ultra-wideband and wide-angle perfect solar energy absorber based on Ti nanorings surface plasmon resonance216
Thermal tuning of terahertz metamaterial absorber properties based on VO2194
A four-band and polarization-independent BDS-based tunable absorber with high refractive index sensitivity188
A switchable terahertz device combining ultra-wideband absorption and ultra-wideband complete reflection185
Realization of 18.97% theoretical efficiency of 0.9 μm thick c-Si/ZnO heterojunction ultrathin-film solar cells via surface plasmon resonance enhancement156
Template-free synthesis of Bi2O2CO3 hierarchical nanotubes self-assembled from ordered nanoplates for promising photocatalytic applications99
Sustainable electrode material for high-energy supercapacitor: biomass-derived graphene-like porous carbon with three-dimensional hierarchically ordered ion highways97
Understanding specific ion effects and the Hofmeister series96
B-Doped 2D-InSe as a bifunctional catalyst for CO2/CH4separation under the regulation of an external electric field90
Electrocatalytic nitrogen reduction on the transition-metal dimer anchored N-doped graphene: performance prediction and synergetic effect89
Origins and properties of the tetrel bond86
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science86
Molecular modelling of compounds used for corrosion inhibition studies: a review76
Two-channel photonic crystal fiber based on surface plasmon resonance for magnetic field and temperature dual-parameter sensing74
There is still plenty of room for layer-by-layer assembly for constructing nanoarchitectonics-based materials and devices73
Targeted modifications in ionic liquids – from understanding to design71
Lithium-ion battery degradation: how to model it70
Tunable and switchable multi-functional terahertz metamaterials based on a hybrid vanadium dioxide–graphene integrated configuration68
Density functional theory study of transition metal single-atoms anchored on graphyne as efficient electrocatalysts for the nitrogen reduction reaction68
Effects of ion migration and improvement strategies for the operational stability of perovskite solar cells63
Three-band perfect absorber with high refractive index sensing based on an active tunable Dirac semimetal57
ReaxFF reactive molecular dynamics simulations to study the interfacial dynamics between defective h-BN nanosheets and water nanodroplets54
Tunable broadband absorber based on a layered resonant structure with a Dirac semimetal53
Two-dimensional penta-like PdPSe with a puckered pentagonal structure: a first-principles study52
The determination of the HOR/HER reaction mechanism from experimental kinetic data52
Surface modification of titanium carbide MXene monolayers (Ti2C and Ti3C2) via chalcogenide and halogenide atoms51
Design and perspective of amorphous metal nanoparticles from laser synthesis and processing51
Theoretical evidence of the spin–valley coupling and valley polarization in two-dimensional MoSi2X4 (X = N, P, and As)51
Theoretical study on conformational energies of transition metal complexes50
A review on two-dimensional materials for chemiresistive- and FET-type gas sensors49
Solvent-polarity-dependent conformation and ESIPT behaviors for 2-(benzimidazol-2-yl)-3-hydroxychromone: a novel dynamical mechanism49
Boosting the photocatalytic hydrogen evolution performance of monolayer C2N coupled with MoSi2N4: density-functional theory calculations49
A novel design of SiH/CeO2(111) van der Waals type-II heterojunction for water splitting47
Computational approaches to dissociative chemisorption on metals: towards chemical accuracy47
Mechanical, electronic and optical properties of a novel B2P6 monolayer: ultrahigh carrier mobility and strong optical absorption46
Easy and fast prediction of green solvents for small molecule donor-based organic solar cells through machine learning46
High confidence plasmonic sensor based on photonic crystal fibers with a U-shaped detection channel45
Recent advances in atomic molecular dynamics simulation of intrinsically disordered proteins44
An active tunable terahertz functional metamaterial based on hybrid-graphene vanadium dioxide44
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