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Scientists from the Critical Materials Institute used the Titan supercomputer and Eos computing cluster at ORNL to analyze designer molecules that could increase the yield of rare earth elements found in bastnaesite, an important mineral 

After a monolayer MXene is heated, functional groups are removed from both surfaces. Titanium and carbon atoms migrate from one area to both surfaces, creating a pore and forming new structures. Credit: ORNL, USDOE; image by Xiahan Sang and Andy Sproles.

Scientists at the Department of Energy’s Oak Ridge National Laboratory induced a two-dimensional material to cannibalize itself for atomic “building blocks” from which stable structures formed. The findings, reported in Nature Communications, provide insights that ...