Publications by authors named "Xian-Yong Ding"
Study of the Electronic and Magnetic Properties of Boron- and Nitrogen-Doped Penta-Graphene.
Nanomaterials (Basel)
April 2020
Article Synopsis
- First-principles calculations were used to study how boron/nitrogen doping affects the geometry, electronic structure, and magnetic properties of penta-graphene.
- The electronic band gap can be tuned between 1.88 and 2.12 eV based on the type and position of dopants, and doping can induce spin polarization and local magnetic moments.
- The competition between charge polarization and atomic electronegativity influences charge transfer between dopants and host atoms, suggesting that doping penta-graphene could enhance its suitability for optoelectronic and magnetic applications.