Results 281 to 290 of about 1,379,053 (353)

Magnetic‐Field Dependent VB− Spin Decoherence in Hexagonal Boron Nitrides: A First‐Principles Study

open access: yesAdvanced Functional Materials, EarlyView.
This study investigates the decoherence of the VB− defect in h‐BN under external magnetic fields using first‐principles quantum many‐body simulations. A transition boundary distinguishing distinct decoherence regimes is identified, with its dependence on isotopic composition.
Jaewook Lee   +3 more
wiley   +1 more source

Enhancing the Photocatalytic Performance of Carbon Nitrides Through Controlled Local Structure Modification

open access: yesAdvanced Functional Materials, EarlyView.
This work utilizes poly(heptazine imides) as a model system to demonstrate how fine‐tuning the crystal structure influences the photocatalytic properties of layered carbon nitrides in the hydrogen evolution reaction. In particular, the nature of rotational defects and the hydration shell of cations are key contributors to enhanced hydrogen evolution ...
Diana V. Piankova   +11 more
wiley   +1 more source

Mutual Correlation. [PDF]

open access: yesJ Chem Theory Comput
Evangelista FA.
europepmc   +1 more source

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