[HTML][HTML] Polarons in materials

C Franchini, M Reticcioli, M Setvin… - Nature Reviews Materials, 2021 - nature.com
Polarons are quasiparticles that easily form in polarizable materials due to the coupling of
excess electrons or holes with ionic vibrations. These quasiparticles manifest themselves in …

Photocatalytic activity of TiO 2 nanoparticles: a theoretical aspect

Y Nam, JH Lim, KC Ko, JY Lee - Journal of Materials Chemistry A, 2019 - pubs.rsc.org
TiO2 photocatalysts have been widely used in the field of renewable energy and
environmental clean-up. However, the large band gap of TiO2, along with the fast …

[HTML][HTML] Electron-pinned defect-dipoles for high-performance colossal permittivity materials

W Hu, Y Liu, RL Withers, TJ Frankcombe, L Norén… - Nature materials, 2013 - nature.com
The immense potential of colossal permittivity (CP) materials for use in modern
microelectronics as well as for high-energy-density storage applications has propelled much …

Effects of carbon on the electrical and optical properties of InN, GaN, and AlN

JL Lyons, A Janotti, CG Van de Walle - Physical Review B, 2014 - APS
Carbon is a common impurity in the group-III nitrides, often unintentionally incorporated
during growth. Nevertheless, the properties of carbon impurities in the nitrides are still not …

Direct View at Excess Electrons in Rutile and Anatase

M Setvin, C Franchini, X Hao, M Schmid, A Janotti… - Physical review …, 2014 - APS
A combination of scanning tunneling microscopy and spectroscopy and density functional
theory is used to characterize excess electrons in TiO 2 rutile and anatase, two prototypical …

Theoretical Studies on Anatase and Less Common TiO2 Phases: Bulk, Surfaces, and Nanomaterials

F De Angelis, C Di Valentin, S Fantacci… - Chemical …, 2014 - ACS Publications
Driven by growing concerns for environmental and energy issues, interest in semiconductor-
based heterogeneous photocatalysis has increased considerably over the last decades …

Semiconducting transition metal oxides

S Lany - Journal of Physics: Condensed Matter, 2015 - iopscience.iop.org
Open shell transition metal oxides are usually described as Mott or charge transfer
insulators, which are often viewed as being disparate from semiconductors. Based on the …

[HTML][HTML] Theoretical insights into the surface physics and chemistry of redox-active oxides

R Rousseau, VA Glezakou, A Selloni - Nature Reviews Materials, 2020 - nature.com
Redox-active oxides find use in many applications, including catalysts, photovoltaic devices,
self-cleaning glasses, chemical sensors and electronic components. Their utility derives …

K2CuX3 (X = Cl, Br): All-Inorganic Lead-Free Blue Emitters with Near-Unity Photoluminescence Quantum Yield

TD Creason, TM McWhorter, Z Bell, MH Du… - Chemistry of …, 2020 - ACS Publications
Recently, copper (I) halides have been gaining increased attention as highly luminescent
nontoxic alternatives to lead halide perovskites for optoelectronic applications. Here, we …

[HTML][HTML] IR spectroscopic investigations of chemical and photochemical reactions on metal oxides: bridging the materials gap

Y Wang, C Wöll - Chemical Society Reviews, 2017 - pubs.rsc.org
In this review, we highlight recent progress (2008–2016) in infrared reflection absorption
spectroscopy (IRRAS) studies on oxide powders achieved by using different types of metal …