TY - RPRT TI - Computational discovery of a tetragonal MBene phase: diamond-shaped boron lattices, viable MAB precursors, and selective CO 2 reduction AU - Lu, Linguo [University of Puerto Rico, San Juan, PR (United States)] (ORCID:0000000200906764) AU - Rajagopalan, Devaraj K. K. [University of Puerto Rico, San Juan, PR (United States)] AU - Huang, Jingsong [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000189932506) AU - Sumpter, Bobby G. [Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)] (ORCID:0000000163410355) AU - Naguib, Michael [Tulane University, New Orleans, LA (United States)] (ORCID:0000000249529023) AU - Chen, Zhongfang [University of Puerto Rico, San Juan, PR (United States)] (ORCID:0000000214459184) PY - 2026 DO - 10.1039/d6ta01721e UR - https://www.osti.gov/biblio/3395421 ID - 3395421 ER -