Tadashi Ogitsu

TL;DR: In this article, the electronic factors underlying catalytic activity on MX-2 surfaces were unraveled and leverage the understanding to report group-5 MX2 electrocatalysts whose performance instead mainly derives from highly active basalplane sites, as suggested by first-principles calculations and performance comparisons with edge-active counterparts.

TL;DR: Ab initio calculations that establish the melt line up to 200 GPa are reported and it is predicted that subtle changes in the intermolecular interactions lead to a decline of the melting line above 90’GPa, which implies that as solid molecular hydrogen is compressed, it transforms into a low-temperature quantum fluid before becoming a monatomic crystal.

TL;DR: In this paper, the authors use theory to unravel electronic factors underlying catalytic activity on MX2 surfaces, and leverage the understanding to report group-5 MX2 (H-TaS2 and H-NbS2) electrocatalysts whose performance instead derives from highly active basal-plane sites.

TL;DR: In this paper, the authors demonstrate that the low theoretical quantum capacitance of graphene-based electrodes can be significantly improved by altering local structural and morphological features such as point defects, dopants, strain, and surface rippling.