TY - RPRT TI - First-Principles Simulations Correlating X-ray Absorption Spectroscopy Features to Point Defects in h -BN AU - Sun, Wenyu [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States). Laboratory for Energy Applications for the Future (LEAF)] (ORCID:0000000235213327) AU - Seo, Minsuk [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] AU - Bayu Aji, Leonardus Bimo [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] AU - Taylor, Gregory V. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] AU - Baker, Alexander A. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000307000858) AU - Kucheyev, Sergei O. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] AU - Wan, Liwen F. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States). Laboratory for Energy Applications for the Future (LEAF)] (ORCID:0000000253910804) PY - 2025 DO - 10.1021/acs.jpclett.5c00768 UR - https://www.osti.gov/biblio/2587127 ID - 2587127 ER -