Review of applications of density functional theory (DFT) quantum mechanical calculations to study the high-pressure polymorphs of organic crystalline materials
E Napiórkowska, K Milcarz, Ł Szeleszczuk - International Journal of …, 2023 - mdpi.com
Since its inception, chemistry has been predominated by the use of temperature to generate
or change materials, but applications of pressure of more than a few tens of atmospheres for …
or change materials, but applications of pressure of more than a few tens of atmospheres for …
A chemical perspective on high pressure crystal structures and properties
JS Tse - National Science Review, 2020 - academic.oup.com
The general availability of third generation synchrotron sources has ushered in a new era of
high pressure research. The crystal structure of materials under compression can now be …
high pressure research. The crystal structure of materials under compression can now be …
Pressure-induced conductivity and yellow-to-black piezochromism in a layered Cu–Cl hybrid perovskite
Pressure-induced changes in the electronic structure of two-dimensional Cu-based
materials have been a subject of intense study. In particular, the possibility of suppressing …
materials have been a subject of intense study. In particular, the possibility of suppressing …
Electrically conductive covalent organic frameworks: bridging the fields of organic metals and 2D materials
M Souto, DF Perepichka - Journal of Materials Chemistry C, 2021 - pubs.rsc.org
The discovery of organic metals in the 1970s opened the door to the design of electrical
devices based on traditionally inert (insulating) organic materials. More recently …
devices based on traditionally inert (insulating) organic materials. More recently …
Cholesteric aggregation at the quinoidal-to-diradical border enabled stable n-doped conductor
Molecular Kekulé diradicals have been demonstrated to show unique optoelectronic
properties as a function of their diradical character. A series of thienoquinoidal …
properties as a function of their diradical character. A series of thienoquinoidal …
Coordination-modulated piezochromism in metal–viologen materials
While stimuli-responsive chromic phenomena are well known for various viologen-
containing organic and metal–organic materials, viologen-based piezochromism is a very …
containing organic and metal–organic materials, viologen-based piezochromism is a very …
Boron-stabilized planar neutral π-radicals with well-balanced ambipolar charge-transport properties
T Kushida, S Shirai, N Ando, T Okamoto… - Journal of the …, 2017 - ACS Publications
Organic neutral π-monoradicals are promising semiconductors with balanced ambipolar
carrier-transport abilities, which arise from virtually identical spatial distribution of their singly …
carrier-transport abilities, which arise from virtually identical spatial distribution of their singly …
Multifunctional dithiadiazolyl radicals: fluorescence, electroluminescence, and photoconducting behavior in pyren-1′-yl-dithiadiazolyl
The pyren-1′-yl-functionalized dithiadiazolyl (DTDA) radical, C16H9CNSSN (1), is
monomeric in solution and exhibits fluorescence in the deep-blue region of the visible …
monomeric in solution and exhibits fluorescence in the deep-blue region of the visible …
Design and applications of single-component radical conductors
Organic conducting materials have garnered considerable research attention in material
sciences and have shown immense potential in the development of advanced electronic …
sciences and have shown immense potential in the development of advanced electronic …
Magnetic ordering and anisotropy in heavy atom radicals
Recent developments in stable radical chemistry have afforded “heavy atom” radicals,
neutral open-shell (S= 1/2) molecular species containing heavy p-block elements (S, Se) …
neutral open-shell (S= 1/2) molecular species containing heavy p-block elements (S, Se) …