Weak Bonding and Anharmonicity in Thermoelectric ZnSb
Sign Up to like & getrecommendations! Published in 2024 at "Advanced Functional Materials"
DOI: 10.1002/adfm.202401703
Abstract: The Zn─Sb binary system contains two high‐performing thermoelectric materials, namely the ordered ZnSb and the disordered Zn13Sb10. Both systems exhibit low thermal conductivity, which is speculated to originate from multicentre bonding within Zn2Sb2‐rhombi. Here, the… read more here.
Keywords: electron density; weak bonding; anharmonicity; znsb ... See more keywords
Observation of Extraordinary Vibration Scatterings Induced by Strong Anharmonicity in Lead‐Free Halide Double Perovskites
Sign Up to like & getrecommendations! Published in 2024 at "Advanced Science"
DOI: 10.1002/advs.202408149
Abstract: Lead‐free halide double perovskites provide a promising solution for the long‐standing issues of lead‐containing halide perovskites, i.e., the toxicity of Pb and the low stability under ambient conditions and high‐intensity illumination. Their light‐to‐electricity or thermal‐to‐electricity… read more here.
Keywords: halide double; double perovskites; anharmonicity; lead free ... See more keywords
Intrinsic anharmonicity effect in YCrO3: Pressure and temperature dependent Raman spectra studies
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Alloys and Compounds"
DOI: 10.1016/j.jallcom.2019.07.087
Abstract: Abstract Multiferroic oxide YCrO3 has attracted much interest in recent years due to its potential application as multifunctional materials. In present study, its structural stability and phonon modes have been investigated by Raman spectroscopy at… read more here.
Keywords: raman spectra; pressure temperature; anharmonicity;
Anharmoncity and low thermal conductivity in thermoelectrics
Sign Up to like & getrecommendations! Published in 2018 at "Materials Today Physics"
DOI: 10.1016/j.mtphys.2018.02.005
Abstract: Abstract The thermoelectric (TE) efficiency is evaluated by the material thermoelectric figure of merit (ZT), which can be usually improved by enhancing the electrical transport properties and/or reducing the thermal conductivity. Seeking the material with… read more here.
Keywords: conductivity thermoelectrics; anharmoncity low; thermal conductivity; conductivity ... See more keywords
Thermal disorder and anharmonicity of cesium iodide in EXAFS theory
Sign Up to like & getrecommendations! Published in 2020 at "Radiation Physics and Chemistry"
DOI: 10.1016/j.radphyschem.2020.108979
Abstract: Abstract In extended X-ray absorption fine structure (EXAFS) theory, the thermal disorder can be described by means of the moments of atomic displacement so-called EXAFS cumulants. In this work, thermal disorder and anharmonicity of cesium… read more here.
Keywords: thermal disorder; exafs; exafs theory; cesium iodide ... See more keywords
Anharmonicity of Vibrational Modes in Hydrogen Chloride-Water Mixtures.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.8b01070
Abstract: A thorough analysis of molecular vibrations in the binary system hydrogen chloride/water is presented considering a set of small mixed and pure clusters. In addition to the conventional normal-mode analysis based on the diagonalization of… read more here.
Keywords: hydrogen chloride; anharmonicity constants; anharmonicity vibrational; anharmonicity ... See more keywords
Phonon Anharmonicity in Few-Layer Black Phosphorus.
Sign Up to like & getrecommendations! Published in 2019 at "ACS nano"
DOI: 10.1021/acsnano.9b04257
Abstract: We report a temperature-dependent Raman spectroscopy study of few-layer black phosphorus (BP) with varied incident polarization and sample thickness. The Raman-active modes A$_\text{g}^{1}$, B$_\text{2g}$, and A$_\text{g}^{2}$ exhibit a frequency downshift, while their linewidth tends to… read more here.
Keywords: layer black; temperature; phonon; black phosphorus ... See more keywords
Metallicity in a Holstein-Hubbard Chain at Half Filling with Gaussian Anharmonicity
Sign Up to like & getrecommendations! Published in 2017 at "Scientific Reports"
DOI: 10.1038/s41598-017-03985-2
Abstract: The Holstein-Hubbard model with Gaussian phonon anharmonicity is studied in one-dimension at half filling using a variational method based on a series of canonical transformations. A fairly accurate phonon state is chosen to average the… read more here.
Keywords: half filling; anharmonicity; holstein hubbard; metallicity holstein ... See more keywords
Phonon anharmonicity in binary chalcogenides for efficient energy harvesting.
Sign Up to like & getrecommendations! Published in 2022 at "Materials horizons"
DOI: 10.1039/d1mh01601f
Abstract: Thermoelectric (TE) materials have received much attention due to their ability to harvest waste heat energy. TE materials must exhibit a low thermal conductivity (κ) and a high power factor (PF) for efficient conversion. Both… read more here.
Keywords: anharmonicity; chalcogenides efficient; binary chalcogenides; phonon anharmonicity ... See more keywords
Anharmonicity and the infrared emission spectrum of highly excited polycyclic aromatic hydrocarbons
Sign Up to like & getrecommendations! Published in 2018 at "Astronomy and Astrophysics"
DOI: 10.1051/0004-6361/201833731
Abstract: Aims. Infrared (IR) spectroscopy is a powerful tool to study molecules in space. A key issue in such analyses is understanding the effect that temperature and anharmonicity have on different vibrat ... read more here.
Keywords: highly excited; spectrum highly; emission spectrum; anharmonicity ... See more keywords
Role of phonon anharmonicity and electronic free energy on thermodynamic properties of fcc ytterbium
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Applied Physics"
DOI: 10.1063/5.0022981
Abstract: Although many thermophysical properties of lanthanide family members are similar, ytterbium is an exception. The coefficient of thermal expansion for Yb is almost three times as large as the coefficients for other rare-earth metals, a… read more here.
Keywords: thermal expansion; thermodynamic properties; phonon anharmonicity; phonon ... See more keywords