Similarity Between Amorphous and Crystalline Phases: The Case of TiO2

The Journal of Physical Chemistry Letters
Juraj MavračićStephen R Elliott

Abstract

Amorphous and crystalline materials differ in their long-range structural order. On the other hand, short-range order in amorphous and crystalline materials often appears similar. Here, we use a recently introduced method for obtaining quantitative measures for structural similarity to compare crystalline and amorphous materials. We compare seven common crystalline polymorphs of TiO2, all assembled out of TiO6 or TiO7 polyhedral building blocks, to liquid and amorphous TiO2 in a quantitative two-dimensional similarity plot. We find high structural similarity between a model of amorphous TiO2, obtained by ab initio molecular-dynamics, and the B-TiO2 crystalline polymorph. The general approach presented here sheds new light on a long-standing controversy in the structural theory of amorphous solids.

References

Mar 1, 1985·Physical Review A: General Physics·W G Hoover
Oct 15, 1996·Physical Review. B, Condensed Matter·G Kresse, J Furthmüller
Dec 13, 2005·Biomaterials·Qizhi Z ChenAldo R Boccaccini
Apr 21, 2007·The Journal of Chemical Physics·Patrick BultinckRamon Carbó-Dorca
Feb 15, 1991·Science·H SatoK Kusaba
May 15, 2008·Dalton Transactions : an International Journal of Inorganic Chemistry·Beatriz CorderoSantiago Alvarez
Jun 4, 2008·Physical Review Letters·John P PerdewKieron Burke
Jun 23, 2012·Science·D LokeS R Elliott
Sep 12, 2013·Journal of Computational Chemistry·Stefan MaintzRichard Dronskowski
Sep 10, 2014·Proceedings of the National Academy of Sciences of the United States of America·Desmond LokeStephen R Elliott
Feb 26, 2016·Journal of Computational Chemistry·Stefan MaintzRichard Dronskowski
Apr 23, 2016·Physical Chemistry Chemical Physics : PCCP·Sandip DeMichele Ceriotti

❮ Previous
Next ❯

Citations

May 28, 2020·Physical Chemistry Chemical Physics : PCCP·Aleks ReinhardtBingqing Cheng
Sep 22, 2020·Faraday Discussions·Daniel J ColeGábor Csányi
Feb 17, 2021·The Journal of Chemical Physics·Giyeok LeeAloysius Soon
May 15, 2021·Physical Review Letters·Marius BürkleYoshihiro Asai
May 22, 2021·Nature Materials·Si LanXun-Li Wang
Jul 27, 2021·Chemical Reviews·Felix MusilMichele Ceriotti
Aug 17, 2021·Chemical Reviews·Volker L DeringerGábor Csányi
Nov 30, 2018·Chemistry of Materials : a Publication of the American Chemical Society·Miguel A CaroTomi Laurila
Aug 17, 2020·Accounts of Chemical Research·Bingqing ChengGabor Csanyi
Sep 16, 2021·Dalton Transactions : an International Journal of Inorganic Chemistry·Madalin DamocMaria Cazacu
Oct 26, 2021·Physical Chemistry Chemical Physics : PCCP·Austin M Wallace, Ryan C Fortenberry

❮ Previous
Next ❯

Related Concepts

Trending Feeds

COVID-19

Coronaviruses encompass a large family of viruses that cause the common cold as well as more serious diseases, such as the ongoing outbreak of coronavirus disease 2019 (COVID-19; formally known as 2019-nCoV). Coronaviruses can spread from animals to humans; symptoms include fever, cough, shortness of breath, and breathing difficulties; in more severe cases, infection can lead to death. This feed covers recent research on COVID-19.

Blastomycosis

Blastomycosis fungal infections spread through inhaling Blastomyces dermatitidis spores. Discover the latest research on blastomycosis fungal infections here.

Nuclear Pore Complex in ALS/FTD

Alterations in nucleocytoplasmic transport, controlled by the nuclear pore complex, may be involved in the pathomechanism underlying multiple neurodegenerative diseases including Amyotrophic Lateral Sclerosis and Frontotemporal Dementia. Here is the latest research on the nuclear pore complex in ALS and FTD.

Applications of Molecular Barcoding

The concept of molecular barcoding is that each original DNA or RNA molecule is attached to a unique sequence barcode. Sequence reads having different barcodes represent different original molecules, while sequence reads having the same barcode are results of PCR duplication from one original molecule. Discover the latest research on molecular barcoding here.

Chronic Fatigue Syndrome

Chronic fatigue syndrome is a disease characterized by unexplained disabling fatigue; the pathology of which is incompletely understood. Discover the latest research on chronic fatigue syndrome here.

Evolution of Pluripotency

Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. This feed focuses on the mechanisms that underlie the evolution of pluripotency. Here is the latest research.

Position Effect Variegation

Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome. Discover the latest research on Position Effect Variagation here.

STING Receptor Agonists

Stimulator of IFN genes (STING) are a group of transmembrane proteins that are involved in the induction of type I interferon that is important in the innate immune response. The stimulation of STING has been an active area of research in the treatment of cancer and infectious diseases. Here is the latest research on STING receptor agonists.

Microbicide

Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Here is the latest research on microbicides.