Conditions mapped for the first time of polaron characteristics in 2D materials. TACC’s Frontera supercomputer generated quantum mechanical calculations on hexagonal boron nitride system of 30,000 atoms. Project sponsored by Department of Energy, with NERSC Cori and Perlmutter supercomputer resources used. Polaron research can help improve development of touchscreens for phones and tablets, organic light-emitting diodes, and hydrogen fuel generation from photocatalysis.
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