Tuning of Structural Transition Pressure and Electronic Properties of Alkaline Earth Chalcogenides by Isoelectronic Substitution
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Electronic Materials"
DOI: 10.1007/s11664-020-08196-6
Abstract: CaTe exhibits Dirac-like linear dispersion in a simple cubic CsCl-type structure which is stable above pressure of 33 GPa. In the present paper, we have studied all the alkaline earth metal chalcogenides to check for the… read more here.
Keywords: transition pressure; structural transition; dirac like; isoelectronic substitution ... See more keywords
Study of the structural transition and hydrogenation of CeTiGe
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2019.07.104
Abstract: Abstract There remains some disagreement in the literature on CeTiGe over the presence of a structural transition from the low temperature CeFeSi-type form to the high temperature CeScSi-type structure. We present a detailed study of… read more here.
Keywords: structural transition; cetige; transition; temperature ... See more keywords
The origin of the structural transition in double-perovskite manganite PrBaMn2O6
Sign Up to like & getrecommendations! Published in 2022 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2021.162034
Abstract: Abstract Double manganite PrBaMn2O6 with ordered alternate stacking of PrMnO3/BaMnO3 layers attracts a special interest due to presence of two magnetic phase transitions close to room temperature; that makes it perspective magnetocaloric and magnetoresistive material.… read more here.
Keywords: transition; phase transition; structural transition; manganite prbamn2o6 ... See more keywords
Effects of economic structural transition on PM2.5-Related Human Health Impacts in China
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Cleaner Production"
DOI: 10.1016/j.jclepro.2021.126793
Abstract: Abstract China has been experiencing significant economic structural transition and PM2.5-Related Human Health Impacts (PM2.5-HHI). However, the effects of economic structural transition on PM2.5-HHI in China remain unclear. Our study analyzes the relative contributions of… read more here.
Keywords: economic structural; structural transition; structure; pm2 hhi ... See more keywords
Revealing a structural transition in typical Fe-based glass-forming alloy melts
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Non-crystalline Solids"
DOI: 10.1016/j.jnoncrysol.2018.04.049
Abstract: Abstract The viscosity-temperature relation of three typical Fe-based glass-forming alloys was investigated by rotational vibration-type high-temperature melt viscometry and ab initio molecular dynamics simulation. It was shown that during the first heating process until 1500 °C,… read more here.
Keywords: glass forming; typical based; alloy; transition ... See more keywords
Structural transition of the nucleosome during chromatin remodeling and transcription.
Sign Up to like & getrecommendations! Published in 2019 at "Current opinion in structural biology"
DOI: 10.1016/j.sbi.2019.07.011
Abstract: In eukaryotes, the nucleosome is the basic unit of chromatin. Since the genomic DNA is tightly wrapped around the histone octamer in the nucleosome, its function is severely restricted in chromatin. To overcome the nucleosome… read more here.
Keywords: structural transition; remodeling transcription; transition nucleosome; chromatin remodeling ... See more keywords
Effect of Size on the Structural Transition and Magnetic Properties of Nano-CuFe2O4
Sign Up to like & getrecommendations! Published in 2017 at "Industrial & Engineering Chemistry Research"
DOI: 10.1021/acs.iecr.7b03468
Abstract: Advances in the field of chemistry often involve nanoparticles, in which the structural transition is surprisingly different from the bulk material, and the difference between them is mainly attributed to the size of the nanoparticles.… read more here.
Keywords: structural transition; magnetic properties; chemistry; size ... See more keywords
Crystal Growth, Structural Transition, and Magnetic Properties of Ho5Pd4Sn12.
Sign Up to like & getrecommendations! Published in 2022 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.2c02047
Abstract: Single crystals and polycrystalline samples of Ho5Pd4Sn12 have been synthesized using flux and arc-melting methods, respectively. Single-crystal X-ray diffraction studies indicate that Ho5Pd4Sn12 crystallizes in a tetragonal structure (I4/m) at room temperature and transforms into… read more here.
Keywords: crystal growth; magnetic properties; structural transition; growth structural ... See more keywords
Iron(II) and 1,1,1-Tris(2-pyridyl)nonadecane Complex Showing an Order-Disorder-Type Structural Transition and Spin-Crossover Synchronized over Both Conformers.
Sign Up to like & getrecommendations! Published in 2019 at "Inorganic chemistry"
DOI: 10.1021/acs.inorgchem.9b01146
Abstract: The title compound (Me4N)[Fe{(2-py)3C- n-C18H37}(NCS)3] having a C18 chain underwent spin-crossover (SCO). There are two crystallographically independent molecules in a triclinic cell at 100 K but only one in a monoclinic cell at 300 K.… read more here.
Keywords: structural transition; spin crossover; iron tris;
Machine Learning Potential Analysis of Structural Transition in Cu and Ag Nanoparticles: From Icosahedral to Face-Centered Cubic
Sign Up to like & getrecommendations! Published in 2025 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.5c00791
Abstract: A highly accurate high-dimensional neural network potential (HDNNP), trained using more than 180,000 DFT-calculated structures, is used to investigate the structure or realistic Cu–Ag bimetallic particles, as this is the dominant species during the CO2… read more here.
Keywords: structural transition; learning potential; machine learning; transition nanoparticles ... See more keywords
Radical-Driven Crystal-Amorphous-Crystal Transition of a Metal-Organic Framework.
Sign Up to like & getrecommendations! Published in 2024 at "Journal of the American Chemical Society"
DOI: 10.1021/jacs.4c01040
Abstract: Self-assembly-based structural transition has been explored for various applications, including molecular machines, sensors, and drug delivery. In this study, we developed new redox-active metal-organic frameworks (MOFs) called DGIST-10 series that comprise π-acidic 1,4,5,8-naphthalenediimide (NDI)-based ligands… read more here.
Keywords: structural transition; self assembly; transition; crystal amorphous ... See more keywords