Results 141 to 150 of about 35,127 (280)
NanophotonicsStrong coupling between the molecular vibrations and electromagnetic fields of light confined to an infrared cavity leads to the formation of vibro-polaritons – quasi-particles thought to provide the means to control the rates of chemical reactions ...
Sufrin Shmuel, Cohn Bar, Chuntonov Lev
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CarrierCapture.jl: Anharmonic Carrier Capture [PDF]
Journal of Open Source Software, 2020 Sunghyun Kim +4 more
openaire +3 more sources
Solar RRL, EarlyView.This study investigates the effect of the chemical composition on the properties of A(BB’)(XX’)3$_3$ inorganic halide perovskites with density functional theory. By correlating distortion amplitudes with both composition and the Goldschmidt tolerance factor, we propose a pragmatic approach to designing more stable and efficient perovskites, advancing ...
Antoine Gissler +2 more
wiley +1 more source
Time-resolved Raman spectroscopy of optical phonons in graphite: Phonon anharmonic coupling and anomalous stiffening [PDF]
, 2009 Hugen Yan +5 more
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Small Structures, EarlyView.The article presents a benchmark study using state‐of‐the‐art high‐level ab initio methodologies to predict infrared and Raman frequencies of subnanometric metal clusters. The importance of characterizing conical intersections in their potential energy landscapes is also highlighted, with the associated (Pseudo‐)Jahn–Teller distortions of cluster ...
Katarzyna M. Krupka +2 more
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Thermal Transport Properties of W2TMB2 Solid Solutions (TM = Fe, Co, Ni)
Zeitschrift für anorganische und allgemeine Chemie, EarlyView.Thermal transport properties of W2TMB2 (TM: Fe, Co, Ni) and their solid solutions, as well as electron backscatter diffraction measurements, show interesting particularities depending on the TM type and content. In this work, thermal transport properties of W2FexCo1‐xB2, W2FexNi1-xCoB2, and W2NixCo1‐xB2 (x: 0.0, 0.2, 0.4, 0.6, 0.8, 1.0) were ...
Daniel Haas +6 more
wiley +1 more source
Correction to the Effect of Anharmonicity on Isotopic Exchange Equilibria—Application to Polyatomic Molecules [PDF]
, 1969 Max Wolfsberg
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Journal of Prosthodontics, EarlyView.Abstract Purpose This study aims to evaluate the effects of adding titanium dioxide (TiO2) nanotubes (NTs) to three‐dimensional (3D) printed denture base resin on the thermal and thermomechanical properties, which have high clinical relevance. Materials and Methods TiO2 NTs with dimensions of 30–70 nm in diameter and 2–4 µm in length were added to the ...
Zaid Basil Al‐enbary +2 more
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Large impact of phonon lineshapes on the superconductivity of solid hydrogen
Communications PhysicsPhonon anharmonicity plays a crucial role in determining the stability and vibrational properties of high-pressure hydrides. Furthermore, strong anharmonicity can render phonon quasiparticle picture obsolete questioning standard approaches for modeling ...
Ðorđe Dangić +4 more
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