Mengyang Li

17PUBLICATIONS
34CO-AUTHORS
Theory and design of materialsOrganometallic chemistryAtomic, molecular and optical physics not elsewhere classifiedChemical and thermal processes in energy and combustionElectrometallurgy
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Publications (17)

|Oct 02, 2026
Theoretical Insights into the Stability and Electronic Properties of Sc3N@C74.

|Apr 17, 2026
Dinitrogen Functionalization with Allene, Isocyanide, and Carbon Monoxide in a Dititanium Framework.

|Mar 26, 2026
Cascade Coupling of Dinitrogen, Carbon Monoxide, Carbon Dioxide, and Alkynes in a Dititanium Framework.

Xiaoxi Zhou, Qingde Zhuo, Lei Shi

|Jan 13, 2026
Crystallographic determination of Lu@C2v(9)-C82: electronic configuration and encapsulation energy-driven formation preference.

Rui Zhang, Pengwei Yu, Mengyang Li

|Nov 24, 2025
Constrained carbon bonding inside fullerene cages.

Yaoxiao Zhao, Mengyang Li, Wangqiang Shen

|Apr 23, 2025
Unveiling fullerene formation and interconversion through molecular dynamics simulations with deep neural network potentials.

Yanbo Han, Mengyang Li, Masahiro Ehara

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Frequent Collaborators

4 joint publications

Xiang Zhao

3 joint publications

Wangqiang Shen

3 joint publications

Xing Lu

3 joint publications

Lipiao Bao