Physical Chemistry Chemical Physics

Papers
(The H4-Index of Physical Chemistry Chemical Physics is 49. 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 2020-10-01 to 2024-10-01.)
ArticleCitations
Efficient evaluation of electrostatic potential with computerized optimized code985
Lithium ion battery degradation: what you need to know475
Ultra-wideband and wide-angle perfect solar energy absorber based on Ti nanorings surface plasmon resonance234
Thermal tuning of terahertz metamaterial absorber properties based on VO2231
A four-band and polarization-independent BDS-based tunable absorber with high refractive index sensitivity207
A switchable terahertz device combining ultra-wideband absorption and ultra-wideband complete reflection205
Realization of 18.97% theoretical efficiency of 0.9 μm thick c-Si/ZnO heterojunction ultrathin-film solar cells via surface plasmon resonance enhancement164
Understanding specific ion effects and the Hofmeister series159
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science128
Lithium-ion battery degradation: how to model it125
Sustainable electrode material for high-energy supercapacitor: biomass-derived graphene-like porous carbon with three-dimensional hierarchically ordered ion highways112
Molecular modelling of compounds used for corrosion inhibition studies: a review110
Electrocatalytic nitrogen reduction on the transition-metal dimer anchored N-doped graphene: performance prediction and synergetic effect107
Template-free synthesis of Bi2O2CO3 hierarchical nanotubes self-assembled from ordered nanoplates for promising photocatalytic applications105
Origins and properties of the tetrel bond100
Two-channel photonic crystal fiber based on surface plasmon resonance for magnetic field and temperature dual-parameter sensing98
There is still plenty of room for layer-by-layer assembly for constructing nanoarchitectonics-based materials and devices92
B-Doped 2D-InSe as a bifunctional catalyst for CO2/CH4separation under the regulation of an external electric field91
Targeted modifications in ionic liquids – from understanding to design89
Tunable broadband absorber based on a layered resonant structure with a Dirac semimetal87
Tunable and switchable multi-functional terahertz metamaterials based on a hybrid vanadium dioxide–graphene integrated configuration85
Density functional theory study of transition metal single-atoms anchored on graphyne as efficient electrocatalysts for the nitrogen reduction reaction78
Effects of ion migration and improvement strategies for the operational stability of perovskite solar cells77
The determination of the HOR/HER reaction mechanism from experimental kinetic data71
Easy and fast prediction of green solvents for small molecule donor-based organic solar cells through machine learning69
An active tunable terahertz functional metamaterial based on hybrid-graphene vanadium dioxide68
Three-band perfect absorber with high refractive index sensing based on an active tunable Dirac semimetal68
ReaxFF reactive molecular dynamics simulations to study the interfacial dynamics between defective h-BN nanosheets and water nanodroplets67
Solvent-polarity-dependent conformation and ESIPT behaviors for 2-(benzimidazol-2-yl)-3-hydroxychromone: a novel dynamical mechanism67
High confidence plasmonic sensor based on photonic crystal fibers with a U-shaped detection channel65
Theoretical evidence of the spin–valley coupling and valley polarization in two-dimensional MoSi2X4 (X = N, P, and As)65
Design and perspective of amorphous metal nanoparticles from laser synthesis and processing64
A review on two-dimensional materials for chemiresistive- and FET-type gas sensors64
Boosting the photocatalytic hydrogen evolution performance of monolayer C2N coupled with MoSi2N4: density-functional theory calculations63
Two-dimensional penta-like PdPSe with a puckered pentagonal structure: a first-principles study63
Surface modification of titanium carbide MXene monolayers (Ti2C and Ti3C2) via chalcogenide and halogenide atoms58
Discovering atomistic pathways for supply of metal atoms from methyl-based precursors to graphene surface58
Theoretical study on conformational energies of transition metal complexes58
Computational approaches to dissociative chemisorption on metals: towards chemical accuracy57
Recent advances in atomic molecular dynamics simulation of intrinsically disordered proteins55
Mechanical, electronic and optical properties of a novel B2P6 monolayer: ultrahigh carrier mobility and strong optical absorption55
Lifting the lid on the potentiostat: a beginner's guide to understanding electrochemical circuitry and practical operation54
A novel design of SiH/CeO2(111) van der Waals type-II heterojunction for water splitting54
The π-hole revisited54
Novel two-dimensional AlSb and InSb monolayers with a double-layer honeycomb structure: a first-principles study52
Two-dimensional FeTe2 and predicted Janus FeXS (X: Te and Se) monolayers with intrinsic half-metallic character: tunable electronic and magnetic properties via strain and electric fi51
Recent progress in the development of thermal interface materials: a review51
Phenothiazine functional materials for organic optoelectronic applications50
Lead-free CsSnCl3 perovskite nanocrystals: rapid synthesis, experimental characterization and DFT simulations49
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