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Core mechanism for the stability preparation of lithium slag-based SOD zeolite: Evolution of trans-crystallization nucleation/growth kinetics of crystals
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Mono-doped (X = S2−, Se2−, and Te2−) and co-doped (Zr4+-X) TiO2 monolayer nanosheet for water splitting: DFT modeling
The addition of fluorine atoms and alkyl chains to aromatic ligand dipole for enhancing stability and photoelectronic properties of formamidinium perovskite surfaces
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Effect of metal ion intercalation on the gas diffusion confined in two-dimensional MXene nanosheets
Yin Sun, Feicheng Huan, Zhenqi Chai, Chenglong Qiu, Shengwei Deng and Jian-guo Wang Materials Today Communications 38 107897 (2024) https://doi.org/10.1016/j.mtcomm.2023.107897
Ab initio potential energy surfaces calculation via restricted Hartree–Fock for molecular dynamics simulation: a comprehensive review
Exploring the hygroscopic behavior of highly energetic oxidizer ammonium dinitramide (ADN) at different temperatures and humidities using an innovative hygroscopic modeling
Qiangqiang Lu, Ben Liu, Zhifang Xie, Yiwen Hu, Hongyu Yang, Junqing Yang, Lei Xiao, Fengqi Zhao, Hongxu Gao, Wei Jiang and Gazi Hao Defence Technology 40 25 (2024) https://doi.org/10.1016/j.dt.2024.06.003
Molecular Dynamics Simulation of Hygroscopic Aging Effects in Epoxy Polymer
M. F. N. Taufique, Martin Losada, Sebastien Hamel, Nir Goldman, Matthew J. DiTucci, Loubna Pagnotti, Daniel Willis, Matthew Torres and Ram Devanathan Integrating Materials and Manufacturing Innovation 12(3) 185 (2023) https://doi.org/10.1007/s40192-023-00296-5
The importance of selecting crystal form for triazole fungicide tebuconazole to enhance its botryticidal activity
Yongjun Chen, Dongmei Yan, Jialin Xu, Hui Xiong, Shaorong Luan, Ciying Xiao and Qingchun Huang Science of The Total Environment 854 158778 (2023) https://doi.org/10.1016/j.scitotenv.2022.158778
Effect of Varying Stiffness and Functionalization on the Interfacial Failure Behavior of Isotactic Polypropylene on Hydroxylated γ-Al2O3 by MD Simulation
Modulating the Schottky barrier of MXenes/2D SiC contacts via functional groups and biaxial strain: a first-principles study
Lingqin Huang, Xuliang Deng, Sumin Pan and Wenwen Cui Physical Chemistry Chemical Physics 24(35) 20837 (2022) https://doi.org/10.1039/D2CP02351B
Thermophysical properties analysis of graphene-added phase change materials and evaluation of enhanced heat transfer effect in underwater thermal vehicles
Investigation of charge transfer between donor and acceptor for small-molecule organic solar cells by scanning tunneling microscopy and ultrafast transient absorption spectroscopy
Effects of a Viscoelastic Surfactant on Supercritical Carbon Dioxide Thickening for Gas Shale Fracturing
Muhammed Rashik Mojid, Berihun Mamo Negash, Kawthar Adewumi Babatunde, Tigabwa Y. Ahmed and Shiferaw Regassa Jufar Energy & Fuels 35(19) 15842 (2021) https://doi.org/10.1021/acs.energyfuels.1c01215
Density Functional Theory Study on the Adsorption Mechanism of Sulphide Gas Molecules on α-Fe2O3(001) Surface
Corrosion mechanism of sulfate, chloride, and tetrafluoroborate ions interacted with Ni-19 wt% Cr coating: A combined experimental study and molecular dynamics simulation