Physical Chemistry Chemical Physics

Papers
(The H4-Index of Physical Chemistry Chemical Physics is 47. 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 2021-06-01 to 2025-06-01.)
ArticleCitations
Interfacial interactions of doped-Ti3C2 MXene/MAPbI3 heterostructures: surfaces and the theoretical approach255
Observation of spin-splitting energies on sp–d exchange interactions tailored in colloidal CdSe/CdMnS core/shell nanoplatelets: an atomistic tight-binding model249
Silver nanoparticle-decorated NiFe2O4/CuWO4 heterostructure electrocatalyst for oxygen evolution reactions220
TiB4 and SrB8 monolayers: high capacity and zero strain-like anode materials for Li/Na/K/Ca ion batteries186
A two-step quadrature-based variational calculation of ro-vibrational levels and wavefunctions of CO2 using a bisector-x molecule-fixed frame176
Strain-induced ferroelectric polarization reversal without undergoing geometric inversion in blue SiSe monolayer175
Structural descriptors and information extraction from X-ray emission spectra: aqueous sulfuric acid120
Field-dependent THz transport nonlinearities in semiconductor nano structures114
The primary photo-dissociation dynamics of lactic acid: decarboxylation as CO2 and CO2˙109
Spin Hall effect modulated by an electric field in asymmetric two-dimensional MoSiAs2Se107
A single carbon nanotube-entangled high-performance buckypaper with tunable fracture mode102
Probing the reactivity of 2,2-diphenyl-1-picrylhydrazyl (DPPH) with metal cations and acids in acetonitrile by electrochemistry and UV-Vis spectroscopy101
Contribution of the lamellar morphology to the photocatalytic activity of alkaline-hydrothermally treated titania in rhodamine B photodegradation90
Enhanced Curie temperature and conductivity of van der Waals ferromagnet MgV2S4via electrostatic doping82
Reinvestigation of the internal glycan rearrangement of Lewis a and blood group type H1 epitopes81
Imaging ultra-weak UV light below 100 pW cm−2 using a 4H–SiC photodetector with an Al2O3 interfacial layer78
Signatures of pancake bonding in hydrated eumelanin76
Oxygen nonstoichiometry and thermodynamic quantities of Gd and Cu doped misfit-layered calcium cobaltites71
Distinct effects of zwitterionic molecules on ionic solvation in (ethylene oxide)10: a molecular dynamics simulation study71
Formation of carbon propeller-like molecules from starphenes under electron irradiation69
An accurate full-dimensional H4O potential energy surface and dynamics of an exchange reaction68
Tuning the work function of graphite nanoparticles via edge termination68
Sequence dependent folding motifs of the secondary structures of Gly-Pro and Pro-Gly containing oligopeptides67
Which DFT factors influence the accuracy of 1H, 13C and 195Pt NMR chemical shift predictions in organopolymetallic square-planar complexes? New scaling parameters for 65
Thermobaric history as a tool to govern properties of glasses: case of dipropylene glycol64
From vibrational spectroscopy and quantum tunnelling to periodic band structures – a self-supervised, all-purpose neural network approach to general quantum problems64
Engineering giant excitonic coupling in bioinspired, covalently bridged BODIPY dyads63
Nitrogen adsorption on Nb2C6H4+ cations: the important role of benzyne (ortho-C6H4)62
Abnormal structural transformation of tetra-n-butyl ammonium chloride + Xe clathrates and its significance for clathrate-based Xe capture and storage60
Direct reduction of NO into N2 catalyzed by fullerene-supported rhodium clusters60
Recent advances in modelling core-electron spectroscopy59
Reaction–diffusion phenomena in antagonistic bipolar diffusion fields56
A self-assembled coordination cage enhances the reactivity of confined amides via mechanical bond-twisting56
Transient changes in aromaticity and their effect on excited-state proton transfer reactions56
Ultrafast study of substituted-position-dependent excited-state evolution in benzophenone-carbazole dyads54
ReaxFF molecular dynamics of graphene oxide/NaCl aqueous solution interfaces54
Förster and nanometal surface-energy transfer in CsPbCl3/Yb3+ quantum-cutting multilayer structures53
The partitioning of primary alcohols into the aggregates of gemini amphiphiles determined from diffusion NMR experiments53
Influence of plasmons on the luminescence properties of solvatochromic merocyanine dyes with different solvatochromism51
Molecular orientation of small carboxylates at the water–air interface51
All-inorganic halide perovskite CsPbBr3: a DFT study of a self-powered formaldehyde sensor51
Fluorescence profiles of water droplets in stable levitating droplet clusters49
Enhanced dielectric constant and breakdown strength of sandwiched polymer nanocomposite film for excellent energy storage48
Magnetism of single-doped paramagnetic tin clusters studied using temperature-dependent Stern–Gerlach experiments with enhanced sensitivity: impact of the diamagnetic ligand field and paramagnetic dop48
The pure spin current and fully spin-polarized current induced by the photogalvanic effect and spin-Seebeck effect in halogen-decorated phosphorene48
Exciton–polariton light-emitting diode based on a single ZnO superlattice microwire heterojunction with performance enhanced by Rh nanostructures48
211At on gold nanoparticles for targeted radionuclide therapy application48
Enhancing the energetic and magnetic stability of atomic hydrogen chemisorbed on graphene using (non)compensated B–N pairs47
State of anion in ethylammonium nitrate enclosed between micrometer-spaced glass plates as studied by 17O and 15N NMR47
Electronic properties and collision cross sections of AgOkHm± (k, m = 1–4) aerosol ionic clusters47
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