Negative thermal expansion in framework structure materials

N Shi, Y Song, X Xing, J Chen - Coordination Chemistry Reviews, 2021 - Elsevier
Negative thermal expansion (NTE) is a counterintuitive physical phenomenon that the unit
cell volume of material usually contracts instead of expands upon heating. With two …

Atomistic details of oxide surfaces and surface oxidation: the example of copper and its oxides

C Gattinoni, A Michaelides - Surface Science Reports, 2015 - Elsevier
The oxidation and corrosion of metals are fundamental problems in materials science and
technology that have been studied using a large variety of experimental and computational …

Nanostructured copper oxide semiconductors: a perspective on materials, synthesis methods and applications

AS Zoolfakar, RA Rani, AJ Morfa… - journal of materials …, 2014 - pubs.rsc.org
The oxides of copper (CuxO) are fascinating materials due to their remarkable optical,
electrical, thermal and magnetic properties. Nanostructuring of CuxO can further enhance …

Vibrational Properties of CuO and Cu4O3 from First-Principles Calculations, and Raman and Infrared Spectroscopy

L Debbichi, MC Marco de Lucas… - The Journal of …, 2012 - ACS Publications
A combined experimental and theoretical study is reported on the vibrational properties of
tenorite CuO and paramelaconite Cu4O3. The optically active modes have been measured …

Negative thermal expansion and associated anomalous physical properties: review of the lattice dynamics theoretical foundation

MT Dove, H Fang - Reports on Progress in Physics, 2016 - iopscience.iop.org
Negative thermal expansion (NTE) is the phenomenon in which materials shrink rather than
expand on heating. Although NTE had been previously observed in a few simple materials …

Phonons and anomalous thermal expansion behaviour in crystalline solids

R Mittal, MK Gupta, SL Chaplot - Progress in Materials Science, 2018 - Elsevier
Anomalous thermal expansion behaviour of several open frame-work compounds has been
extensively investigated using the techniques of inelastic neutron scattering and lattice …

Copper oxide-based photocatalysts and photocathodes: fundamentals and recent advances

T Baran, A Visibile, M Busch, X He, S Wojtyla… - Molecules, 2021 - mdpi.com
This work aims at reviewing the most impactful results obtained on the development of Cu-
based photocathodes. The need of a sustainable exploitation of renewable energy sources …

Performance of the r2SCAN Functional in Transition Metal Oxides

S Swathilakshmi, R Devi… - Journal of chemical theory …, 2023 - ACS Publications
We assess the accuracy and computational efficiency of the recently developed meta-
generalized gradient approximation (metaGGA) functional, restored regularized strongly …

Phonon anharmonicity of rutile TiO studied by Raman spectrometry and molecular dynamics simulations

T Lan, X Tang, B Fultz - Physical Review B—Condensed Matter and Materials …, 2012 - APS
Raman spectra of rutile titanium dioxide (TiO 2) were measured at temperatures from 100 to
1150 K. Each Raman mode showed unique changes with temperature. Beyond the volume …

Literature review on the properties of cuprous oxide Cu {sub 2} O and the process of copper oxidation

PA Korzhavyi, B Johansson - 2011 - osti.gov
The purpose of the present review is to provide a reference guide to the most recent data on
the properties of copper (I) oxide as well as on the atomic processes involved in the initial …