Ionut Tranca

TL;DR: In this article, the ionization energy and electron affinity values of all primary tin and lead-based perovskites were determined using photoelectron spectroscopy data, supported by first-principles calculations and a tight-binding analysis.

TL;DR: In this paper, the ionization energy and electron affinity values of all primary tin and lead based perovskites were determined using photoelectron spectroscopy data, supported by first-principles calculations.

TL;DR: Adsorbed associated water can efficiently stabilize photogenerated charge carriers in nanocrystalline TiO2 and suppress their recombination at the time scale up to minutes, demonstrating that hole mobility should be higher in the hydrated material than in the dehydrated system.

TL;DR: This work computationally investigated how catalytic reactivity scales with acidity for a range of zeolites with different topologies and chemical compositions and found that straightforward correlations are limited to zeolite with the same topology.

TL;DR: In this paper, the authors compared the chemical bonding and reactivity of compounds with dominantly ionic versus covalent bonding, and found that, except for longer range ionic interactions, binding to the metal cations is dominated by local Covalent interactions and that ligand field theory type atomic orbital splitting is important.