A hidden bulk polymorph of DNTT exhibits three-dimensional charge transport, with electron mobility along certain axes exceeding twice the hole mobility of the known phase.
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Plasmonic AuPd0.05/TiO2 photocatalysis achieves ~80% selective oxidative coupling of CH4 and N2O to C2H4, C2H6, C3H6, and C3H8 at ambient conditions by lowering C-C coupling barriers from 2.7 eV to 0.7 eV via hot-carrier redistribution of hydroxyl intermediates.
CGAA-FF encodes atoms into grain nodes within equivariant graph models to predict grain energies and atom forces, achieving 0.201-0.253 eV/Å errors with 5-10x efficiency on EC/EMC and RDX systems.
citing papers explorer
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A hidden bulk polymorph governs charge transport dimensionality in an organic semiconductor
A hidden bulk polymorph of DNTT exhibits three-dimensional charge transport, with electron mobility along certain axes exceeding twice the hole mobility of the known phase.
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Plasmonic Photocatalysis Enables Selective Oxidative Coupling of Methane with Nitrous Oxide under Ambient Conditions
Plasmonic AuPd0.05/TiO2 photocatalysis achieves ~80% selective oxidative coupling of CH4 and N2O to C2H4, C2H6, C3H6, and C3H8 at ambient conditions by lowering C-C coupling barriers from 2.7 eV to 0.7 eV via hot-carrier redistribution of hydroxyl intermediates.
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Coarse-grained graph architectures for all-atom force predictions
CGAA-FF encodes atoms into grain nodes within equivariant graph models to predict grain energies and atom forces, achieving 0.201-0.253 eV/Å errors with 5-10x efficiency on EC/EMC and RDX systems.