Affiliation:
1. Department of Physics, School of Sciences, Beihua University, Jilin 132013, China
Abstract
We predicted six stoichiometric sodium carbaboride compounds (NaBC11, Na2B2C10, NaB2C10, Na2B4C8, NaB4C8, and Na2B6C6) based on Na-doped boron–carbon clathrates via first-principles calculations.
Funder
Department of Science and Technology of Jilin Province
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy