Organic minerals in a self-heating coal-waste dump in Upper Silesia, Poland: Structure, formation pathways and environmental issues
Á Nádudvari, T Krzykawski, M Jabłońska… - International Journal of …, 2024 - Elsevier
The study presents research on the unusual appearance of purple-colored organic minerals,
ravatite (phenanthrene) and freitalite (anthracene), occurring in the migrating front wall of a …
ravatite (phenanthrene) and freitalite (anthracene), occurring in the migrating front wall of a …
Computational methodology for solubility prediction: Application to sparingly soluble organic/inorganic materials
The solubility of a crystalline material can be estimated from the absolute free energy of the
solid and the excess solvation free energy. In the earlier work, we presented a general …
solid and the excess solvation free energy. In the earlier work, we presented a general …
Constraint on the potassium content for the superconductivity of potassium-intercalated phenanthrene
Raman-scattering measurements were performed on K x phenanthrene (0⩽ x⩽ 6.0) at room
temperature. Three phases (x= 3.0, 3.5, and 4.0) are identified based on the obtained …
temperature. Three phases (x= 3.0, 3.5, and 4.0) are identified based on the obtained …
Phase transformations and vibrational properties of coronene under pressure
XM Zhao, J Zhang, A Berlie, ZX Qin… - The Journal of …, 2013 - pubs.aip.org
Both the vibrational and structural properties of coronene have been investigated upon
compression up to 30.5 GPa at room temperature by a combination of Raman scattering and …
compression up to 30.5 GPa at room temperature by a combination of Raman scattering and …
Piezochromism and structural and electronic properties of benz [a] anthracene under pressure
We report a combined experimental and theoretical study of the high pressure behavior of a
herringbone-type hydrocarbon benz [a] anthracene (BaA) using fluorescence spectroscopy …
herringbone-type hydrocarbon benz [a] anthracene (BaA) using fluorescence spectroscopy …
High-throughput pressure-dependent density functional theory investigation of herringbone polycyclic aromatic hydrocarbons: part 2. Pressure-dependent electronic …
M Hammouri, TM Garcia, C Cook… - The Journal of …, 2018 - ACS Publications
Understanding the effect intermolecular interactions have on the electronic properties of
highly conjugated/aromatic organic networks is important for optimizing these materials for …
highly conjugated/aromatic organic networks is important for optimizing these materials for …
Combined experimental and computational study of high-pressure behavior of triphenylene
We have performed measurements of Raman scattering, synchrotron x-ray diffraction and
visible transmission spectroscopy combined with density functional theory calculations to …
visible transmission spectroscopy combined with density functional theory calculations to …
Structural and electronic properties of potassium-doped 1, 2; 8, 9-dibenzopentacene superconductor: comparing with doped [7] phenacenes
Polycyclic aromatic hydrocarbons doped by metal have exhibited the potential of high
temperature superconductivity. Understanding the basic properties of materials is the key to …
temperature superconductivity. Understanding the basic properties of materials is the key to …
Vibrational spectra of four polycyclic aromatic hydrocarbons under high pressure: implications for stabilities of PAHs during accretion
E O'Bannon, Q Williams - Physics and Chemistry of Minerals, 2016 - Springer
Infrared and Raman spectra of the polycyclic aromatic hydrocarbons (PAHs) naphthalene,
anthracene, phenanthrene, and pyrene have been examined up to 10–55 GPa at 300 K, to …
anthracene, phenanthrene, and pyrene have been examined up to 10–55 GPa at 300 K, to …
Piezochromic luminescence of dicoronylene: Key for revealing hidden Raman modes at high pressure
Molecular crystals of dicoronylene (C 48 H 20), a member of very large polycyclic aromatic
hydrocarbons (PAHs), exhibits strong red fluorescence under ambient conditions. This …
hydrocarbons (PAHs), exhibits strong red fluorescence under ambient conditions. This …