Novel Polymorph of GaSe
Sign Up to like & getrecommendations! Published in 2021 at "Advanced Functional Materials"
DOI: 10.1002/adfm.202104965
Abstract: 2D GaSe is a semiconductor belonging to the group of post‐transition metal chalcogenides with great potential for advanced optoelectronic applications. The weak interlayer interaction in multilayer 2D materials allows the formation of several polymorphs. Here,… read more here.
Keywords: novel polymorph; polymorph gase; gase; gase polymorph ... See more keywords
n-type Thermoelectric Properties of a Hexagonal SiGe Polymorph Superior to a Cubic SiGe
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2021.160007
Abstract: Abstract The crystal structure of a material dictates many of its properties. This study focuses on a SiGe compound with a hexagonal crystal system that demonstrates superior thermoelectric properties than those of its conventional cubic… read more here.
Keywords: type thermoelectric; polymorph; hexagonal sige; sige ... See more keywords
Insights from QM/MM-ONIOM, PIXEL, NBO and DFT calculations: The molecular conformational origins for optical properties on (Z)-2-phenyl-3-(4-(pyridin-2-yl)-phenyl) acrylonitrile polymorphs
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2020.128016
Abstract: Abstract The optical properties on two polymorphic structures of (Z)-2-phenyl-3-(4-(pyridin-2-yl)- phenyl)acrylonitrile (PPyPAN) have been studied by the TD-DFT and QM/MM-ONIOM approaches. The quantitative analysis of intermolecular interactions in both polymorphs (polymorph-I and polymorph-II) was carried… read more here.
Keywords: molecule; phenyl acrylonitrile; phenyl pyridin; optical properties ... See more keywords
Crystal structure of fluconazole polymorph V, C13H12F2N6O
Sign Up to like & getrecommendations! Published in 2018 at "Powder Diffraction"
DOI: 10.1017/s0885715618000659
Abstract: Fluconazole (CAS Registry number 86386-73-4) is used to treat a number of fungal infections, particularly candidiasis, and has many polymorphs. There are five low-precision experimental patterns of fluconazole in the Powder Diffraction File (00-057-1444, 00-058-1926,… read more here.
Keywords: diffraction; crystal structure; powder diffraction; polymorph ... See more keywords
Spontaneous Refolding of Amyloid Fibrils from One Polymorph to Another Caused by Changes in Environmental Hydrophobicity.
Sign Up to like & getrecommendations! Published in 2022 at "Biochemistry"
DOI: 10.1021/acs.biochem.2c00143
Abstract: Here, we report a new phenomenon in which lysozyme fibrils formed in a solution of acetic acid spontaneously refold to a different polymorph through a disassembled intermediate upon the removal of acetic acid. The structural… read more here.
Keywords: spontaneous refolding; fibrils one; spectroscopy; acetic acid ... See more keywords
Molecular Dynamics Study of the Thermodynamics of Integer Charge Transfer vs Charge-Transfer Complex Formation in Doped Conjugated Polymers.
Sign Up to like & getrecommendations! Published in 2022 at "ACS applied materials & interfaces"
DOI: 10.1021/acsami.2c06449
Abstract: Molecular dopants such as 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane (F4TCNQ) can interact with conjugated polymers such as poly(3-hexylthiophene-2,5-diyl) (P3HT) in two different ways: they can undergo integer charge transfer (ICT) or they can form a partial-charge-transfer complex (CTC). Both… read more here.
Keywords: conjugated polymers; polymorph; charge transfer; thermodynamics ... See more keywords
Influence of ontogenetic development, temperature, and pCO2 on otolith calcium carbonate polymorph composition in sturgeons
Sign Up to like & getrecommendations! Published in 2021 at "Scientific Reports"
DOI: 10.1038/s41598-021-93197-6
Abstract: Changes to calcium carbonate (CaCO3) biomineralization in aquatic organisms is among the many predicted effects of climate change. Because otolith (hearing/orientation structures in fish) CaCO3 precipitation and polymorph composition are controlled by genetic and environmental… read more here.
Keywords: calcium carbonate; polymorph composition; polymorph; temperature pco2 ... See more keywords
Insights into TiO2 polymorphs: highly selective synthesis, phase transition, and their polymorph-dependent properties
Sign Up to like & getrecommendations! Published in 2017 at "RSC Advances"
DOI: 10.1039/c7ra11515f
Abstract: Despite the enormous efforts devoted to the research of titanium dioxide (TiO2), controlling TiO2 polymorphism, size and morphology still represents an interesting challenge since its stabilities, transitions and properties vary with them. Herein, we report… read more here.
Keywords: phase; transition; selective synthesis; insights tio2 ... See more keywords
Synthetic control over polymorph formation in the d-band semiconductor system FeS2
Sign Up to like & getrecommendations! Published in 2021 at "Chemical Science"
DOI: 10.1039/d1sc03026d
Abstract: Pyrite, also known as fool's gold is the thermodynamic stable polymorph of FeS2. It is widely considered as a promising d-band semiconductor for various applications due to its intriguing physical properties. Marcasite is the other… read more here.
Keywords: formation; fes2; polymorph; band ... See more keywords
Precursor polymorph determines the organic semiconductor structure formed upon annealing
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Materials Chemistry C"
DOI: 10.1039/d1tc01313k
Abstract: Polymorph selection in thin films of quinacridone obtained by the soluble latent pigment precursor method is found to be driven by the crystalline form of the precursor in a combined low-frequency Raman spectroscopy and X-ray… read more here.
Keywords: polymorph determines; organic semiconductor; determines organic; precursor ... See more keywords
Polymorphism and polymorph-dependent luminescence properties of the first lithium oxonitridolithosilicate Li3SiNO2:Eu2.
Sign Up to like & getrecommendations! Published in 2023 at "Dalton transactions"
DOI: 10.1039/d2dt03921d
Abstract: Building on studies of monoclinic Li3SiNO2, a polymorph, β-Li3SiNO2, with a previously unknown structure type was synthesized. The β-phase crystallizes in the orthorhombic space group Pbca (no. 61) with lattice parameters of a = 18.736(2),… read more here.
Keywords: li3sino2; dependent luminescence; polymorphism polymorph; luminescence ... See more keywords