Modelling and Simulation in Chemistry (MOSAIC)

Research team publications

Plasmon-induced resonant energy transfer and flat band formation in Fe and Co doped Ni(ii) hydroxide for efficient photocatalytic oxygen evolution

Source
Physical chemistry, chemical physics - ISSN 1463-9076-27:34 (2025) p. 18015-18026
Author(s)

Tuned structural and water diffusion in single-walled carbon nanotubes using molecular dynamics simulations

Source
Journal of electronic materials - ISSN 0361-5235-54:9 (2025) p. 7081-7095
Author(s)
    Ammara Naz, Muhammad Kashif, Qurat ul Ain Asif, Alina Manzoor, Ama tul Zahra, Umedjon Khalilov, Aamir Shahzad

Driving catalytic carbyne formation within endohedral DWCNTs : the role of Ni vs. Pt

Source
Nanoscale - ISSN 2040-3364-17:31 (2025) p. 18211-18219
Author(s)

Stable and efficient lithium storage via Ni ratio and calcination temperatures modulation in Ni-Mn layered cathodes

Source
Rare metals - ISSN 1001-0521-44:9 (2025) p. 6015-6025
Author(s)
    Xin-Xin Jia, Ying Li, Yuan-Yuan Li, Peng-Xiang Yan, Yan-Gang Zhang, Shengjie Yang, Pei-Yue Jin, Umedjon Khalilov, Jun-Fei Liang, Jian Zhu, Lin Guo

Binding energies of small interstellar molecules on neutral and charged amorphous solid water surfaces

Source
The astrophysical journal - ISSN 0004-637X-986:1 (2025) p. 1-14