Frontiers in Physics | Chemical Physics and Physical Chemistry

Editorial

Published on 14 Oct 2025

Editorial: Calculation and design of two-dimensional thermoelectric and piezoelectric materials, volume II

in Chemical Physics and Physical Chemistry

Guangzhao Wang
Huabing Yin
San-Dong Guo
Yee Sin Ang

Frontiers in Physics

doi 10.3389/fphy.2025.1715272

225 views

Original Research

Published on 13 Oct 2025

First principles study on the electronic and optical behavior of atomically thin MXene/MC (M = Si, Ge) heterostructures

in Chemical Physics and Physical Chemistry

Binbin Tao
Zhengyang Zhu
Jianping Li

Frontiers in Physics

doi 10.3389/fphy.2025.1655987

1,191 views

Original Research

Published on 19 Jun 2025

First-principles investigations on the thermal transport and thermoelectric properties of anti-perovskite M3OI and M4OI2 (M = K, Rb)

in Chemical Physics and Physical Chemistry

Hong Xiao
Tao Hu
Ping Zhou
Dengfeng Li

Frontiers in Physics

doi 10.3389/fphy.2025.1619661

1,549 views

Original Research

Published on 09 May 2025

Analysis of expected value of connectivity indices of random 2T2 kink chains

in Chemical Physics and Physical Chemistry

Xuemin Ling
Asima Razzaque
Maham Khalil
Salma Kanwal
Saima Noor
Robina Nazir

Frontiers in Physics

doi 10.3389/fphy.2025.1538443

1,277 views

Original Research

Published on 15 Apr 2025

Effects of electronic excitation on cascade dynamics in tungsten

in Chemical Physics and Physical Chemistry

Shaoding Sheng
Shuwan Wei
Chengling Zhang
Chao Zhang
Guo Pu
Bing-Sheng Li

Frontiers in Physics

doi 10.3389/fphy.2025.1592186

1,510 views

Original Research

Published on 19 Mar 2025

A first-principles density functional theory study on the piezocatalytic activity of tetragonal perovskite PbTiO3

in Chemical Physics and Physical Chemistry

Xinyi Sun
Xiangyu Zhu
Erjun Kan
Cheng Zhan

Frontiers in Physics

doi 10.3389/fphy.2025.1562239

1,652 views

Original Research

Published on 04 Mar 2025

Estimating the prediction ability of reverse degree-based entropy indices for the physicochemical properties of lymes disease drugs

in Chemical Physics and Physical Chemistry

Guoping Zhang
Yali Li
Abdul Rauf
Muhammad Aamir Afzal
Parvez Ali
Adnan Aslam

Frontiers in Physics

doi 10.3389/fphy.2025.1536995

1,094 views

Original Research

Published on 20 Jan 2025

The prediction of X2B6 monolayers with ultrahigh carrier mobility

in Chemical Physics and Physical Chemistry

Xiuzhi Du
Zhaoming Huang

Frontiers in Physics

doi 10.3389/fphy.2024.1534301

1,203 views

Original Research

Published on 18 Apr 2024

Analyzing the role of reducible molecular descriptors and thermodynamic aspects of anti-tuberculosis drugs via QSPR study

in Chemical Physics and Physical Chemistry

Sajid Mahboob Alam
Niat Nigar
Muhammad Waheed Rasheed
Laiba Amin

Frontiers in Physics

doi 10.3389/fphy.2024.1383216

2,521 views
4 citations

Original Research

Published on 18 Apr 2024

Uses of degree-based topological indices in QSPR analysis of alkaloids with poisonous and healthful nature

in Chemical Physics and Physical Chemistry

Muhammad Waheed Rasheed
Abid Mahboob
Iqra Hanif

Frontiers in Physics

doi 10.3389/fphy.2024.1381887

3,492 views
12 citations

Original Research

Published on 08 Apr 2024

Investigating the properties of octane isomers by novel neighborhood product degree-based topological indices

in Chemical Physics and Physical Chemistry

Muhammad Waheed Rasheed
Abid Mahboob
Iqra Hanif

Frontiers in Physics

doi 10.3389/fphy.2024.1369939

2,407 views
4 citations

Mini Review

Published on 26 Feb 2024

Development of fullerene acceptors and the application of non-fullerene acceptors in organic solar cells

in Chemical Physics and Physical Chemistry

Wen-Shuo Du
Gong Wang
Yun-Fei Li
Yu Yu

Frontiers in Physics

doi 10.3389/fphy.2024.1378909

5,475 views
8 citations

Correction

Published on 23 Feb 2024

Corrigendum: Exciton dynamics in conjugated polymer systems

in Chemical Physics and Physical Chemistry

William Barford

Frontiers in Physics

doi 10.3389/fphy.2024.1379177

1,119 views

Original Research

Published on 14 Sep 2023

From a Co-Mo precursor to 1H and 1T Co-promoted MoS2: exploring the effects of gas pressure

in Chemical Physics and Physical Chemistry

M. K. Prabhu
I. M. N. Groot

Frontiers in Physics

doi 10.3389/fphy.2023.1240731

1,916 views
2 citations

Original Research

Published on 31 Aug 2023

Densities and excess molar volumes of the binary systems of the ionic liquid trihexyl(tetradecyl)phosphonium bromide mixed with acetonitrile or tetrahydrofuran at temperatures from 293.15 to 313.15 K

in Chemical Physics and Physical Chemistry

Octavio Elizalde-Solis
Abel Zúñiga-Moreno
Luis E. Camacho-Camacho
Ricardo García-Morales
Sandro González-Arias
Francisco J. Verónico-Sánchez

Frontiers in Physics

doi 10.3389/fphy.2023.1208382

1,731 views
5 citations

Original Research

Published on 23 Aug 2023

Thermodynamic modelling of mixtures of water, carbon dioxide and hydrogen at high pressure and temperature for hydrothermal CO2 reduction processes

in Chemical Physics and Physical Chemistry

Iván Navarro-Cárdenas
Ángel Martín

Frontiers in Physics

doi 10.3389/fphy.2023.1219630

3,395 views
1 citation