To boost solar water splitting efficiency, researchers used quantum molecular dynamics to track how charge carriers (polarons) stabilize in the NaTaO 3 photocatalyst, a process previously hidden from ...
Despite the wide applicability of oxynitrides from photocatalysis to refractory coatings, our understanding of the materials has been limited in terms of their thermodynamics. The configurational ...
A thermodynamic descriptor for chemical exfoliation of MXenes remains elusive, primarily because the process is dynamic and MXenes are inherently metastable. Here we show that vacancy formation ...
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