Modelling and Simulation in Chemistry (MOSAIC)

Research team publications

Shape stabilization and photothermal conversion of paraffin wax as a phase change material encapsulated by large-diameter carbon tubes

Source
ACS applied engineering materials - ISSN 2771-9545- (2026) p.
Author(s)
    Jingwei Li, Shiya Zheng, Yicheng Yu, Jianjun Li, Umedjon Khalilov, Yuldosh Yu. Yakubov, Aziz Bakhtiyarovich Ibragimov, Haibao Lu

Plasma-assisted CH₄ activation on Cu/CeO₂ catalysts : insights into the effect of catalyst surface and vibrational excitation

Source
Physical chemistry, chemical physics - ISSN 1463-9076-28:7 (2026) p. 4753-4763
Author(s)

A DFT study on defect-mediated surface modification of titania by Grignard reagent

Source
The journal of physical chemistry: C : nanomaterials and interfaces - ISSN 1932-7447-130:3 (2026) p. 1165-1175
Author(s)

Electromagnetic wave absorption and Joule heating of carbon fiber/carbon nanotube composites via solid carbon source-chemical vapor deposition method

Source
Carbon - ISSN 0008-6223-247 (2026) p. 1-14
Author(s)
    Cong Wang, Liangmiao Hua, Jingwei Li, Haolin Bai, Jianjun Li, Aziz Bakhtiyarovich Ibragimov, Umedjon Khalilov, Yakubov Yuldosh Yusupboyevich, Haibao Lu

A molecular dynamics study of NiO catalyst-induced perylene prenucleation

Source
Chemical physics - ISSN 0301-0104-600 (2026) p. 1-8
Author(s)