The Journal of Chemical Physics
Articles in this Issue
Analysis of macroscopic cracks in triple cation perovskite films fabricated by the anisole antisolvent method
The most efficient perovskite solar cells (PSCs) are currently developed using antisolvent-based fabrication technology. Despite extensive analysis of various aspects of the antisolvent method—such as...
Long-lived light-induced electron spin polarization in porphyrin triplet states and the dynamic Jahn–Teller effect
The time dependence of the light-induced spin polarization of a series of porphyrins is reported. The porphyrins contain central elements from three distinct groups in the Periodic Table with differen...
Interfacial and density fluctuations in a lattice model of motility-induced phase separation
We analyze motility-induced phase separation and bubbly phase separation in a two-dimensional lattice model of self-propelled particles. We compare systems where the dense (liquid) phase has slab and...
Multidimensional high-throughput screening for mixed perovskite materials with machine learning
Mixed halide inorganic perovskites exhibit exceptional stability and photovoltaic performance and are considered to be promising photovoltaic materials. However, the chemical diversity of these materi...
A “hump” in the third-order dielectric response of a highly polar liquid: Now you see it, now you don’t
We have measured the linear and nonlinear dielectric responses of S-methoxypropylene carbonate, a highly polar glass-former, for which it has been reported that the “hump,” which is typical of third h...
Unusual zero field cooled exchange bias and related mechanism in YBaCuFeO5–Ni0.3Zn0.7Fe2O4 composites
We report an unusual room temperature giant zero-field-cooled exchange bias (∼1 kOe) in an antiferromagnetic (100 − x)YBaCuFeO5–ferrimagnetic (x) Ni0.3Zn0.7Fe2O4 composite. The solid state route is ad...
Fragility and thermal expansion control crystal melting and the glass transition
Analytical relations for the glass transition temperature, Tg, and the crystal melting temperature, Tm, are developed on the basis of nonaffine lattice dynamics. The proposed relations explain the fol...
Modified vibrational perturbation theory as applied to the collinear H + H2 and D + H2 reactions
A multidimensional version of the modification to vibrational perturbation theory is developed in this article. The modifications to the action are of two types: one is by shifting the energy scale wi...
The structural resemblance between InSin− and Sin+1 (n = 3–11): Anion photoelectron spectroscopy and density functional calculations
Metal-doped silicon clusters have been extensively studied due to their promising applications in the semiconductor industry and microelectronics. In this study, indium-doped silicon clusters (InSin−/...
Determination of the intervalence charge-transfer rate in mixed-valence arylamino-fluorene derivatives using EPR spectroscopy
Thermally activated electron-transfer processes are of interest for a variety of theoretical and technological applications. In organic mixed-valence (MV) systems, the intramolecular charge transfer b...
What does an ion feel at the electrochemical interface? Revisiting electrosorption through nonlocal electrostatics
The traditional Gouy–Chapman–Stern theory has been effective in explaining the behavior of dilute electrolytes in the electrical double layer but falls short when it comes to describing how ions behav...