TY  - JOUR 
AU  - Torres, María Begoña
AU  - Lebon, Alexandre
AU  - González Tesedo, Luis Enrique
AU  - Gallego, Luis J.
AU  - Vega Hierro, Andrés
PY  - 2025
UR  - https://uvadoc.uva.es/handle/10324/75748
AB  - We performed an extensive study on the most stable structures, the electronic
properties, and the thermal stability of the 2D biphenylene sheet decorated with Li atoms.
Our structural results show that the Li storage capacity of biphenylene is much...
LA  - eng
PB  - MDPI
KW  - 2D materials, biphenylene, Li-adsorption on biphenylene, structural properties, electronic properties, stability at room temperature, ab initio density functional theory, ab initio molecular dynamics, quantum chemical topology, metallic bonding
TI  - Ab Initio Study of the Structures, Bonding Interactions, and Thermal Stability of the Li-Decorated 2D Biphenylene Sheet
DO  - 10.3390/nano15090700
ER  -