Results 231 to 240 of about 1,493,686 (274)

Integrated Photoelectrode and Electrolyte Engineering via Carbon Quantum Dots for Self‐Powered H2O/O2‐Mediated Portable Photoelectrochemical Cells

open access: yesAdvanced Science, EarlyView.
Surface‐charged N‐CQDs serve as both electrolyte additives and photocathode modifiers. Electrodeposited N‐CQDs on Cu2O form a stable composite, steering 4e− ORR toward water. A quasi‐solid electrolyte with N‐CQDs aids charge migration, electrode‐electrolyte interfacial compatibility and replenishes active sites.
Yang Wu   +12 more
wiley   +1 more source

Tuning Au Reactivity Beyond Canonical Targets: Ligand-Driven Au(I) Metalation of Lysine Residues in Hen Egg White Lysozyme. [PDF]

open access: yesInorg Chem
Piroddu D   +8 more
europepmc   +1 more source

On the Periodicity of the Information Theory and Conceptual DFT-Based Reactivity Descriptors

The Journal of Physical Chemistry A, 2022
The periodic trends in conceptual density functional and information theory-based reactivity descriptors are reported for the atoms H to Ba (Z = 1 to 56). Ionization potential, electron affinity, electronegativity, and hardness show periodic behavior following the Aufbau principle and popular electronic structure principles.
Ranita Pal   +2 more
openaire   +2 more sources

Stiffness and Raman Intensity:  a Conceptual and Computational DFT Study

The Journal of Physical Chemistry A, 2005
A DFT-based reactivity descriptor, the nuclear stiffness, is related to the Raman scattering intensity, which is experimentally accessible. The application of this new relationship obtained within certain approximations has been checked in two different sets of molecules. First, we study a favorable case, where the contribution of the anisotropy to the
Torrent-Sucarrat, Miquel   +2 more
openaire   +3 more sources

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