Results 151 to 160 of about 35,127 (280)
Predicting Plastic Activity in Disordered Solids via Geometric Measures
ABSTRACT Unlike their crystalline counterparts, glasses have a complex structure that lacks any long‐range order, resulting in the system possessing a large number of metastable states. The system transitions between these metastable states, giving rise to a complex mechanical response when subjected to mechanical deformation.
Somar Shekh Alshabab +3 more
wiley +1 more source
Crystal Structures and Intermolecular Interactions in α$\alpha$‐ and β$\beta$‐phosgene
Despite its notorious reputation as a war gas, phosgene (COCl2${\rm COCl}_2$) is one of the most important intermediate chemicals in industry. In this study, we present the crystal structures of two phosgene polymorphs as deduced from powder neutron diffraction and show which intermolecular interactions stabilise the different modifications.
Sven Ringelband +6 more
wiley +2 more sources
On the Nature of Improper Hydrogen Bonding in RCH2F and RCHF2 Motifs
The nature of ‘improper’ hydrogen bonds is explored in FnC─H⋯X systems, such as RCF2H interaction with chloride and water. It is noted that increased fluorination decreases the positive charge density on H but increases it on C, thus these interactions are dominated by electrostatic attraction to C over H.
Bruno A. Piscelli +3 more
wiley +2 more sources
Evidence of tuned anharmonicity in the thermoelectric material Cu2-x S
The mechanisms underlying the low thermal conductivity of Cu2-x (S, Se) have been attracting considerable attention. However, Cu defects in Cu2-x (S, Se) have been reported to lead to an unusual increase in lattice thermal conductivity, unlike the ...
Seungyub Song +10 more
doaj +1 more source
THERMODYNAMIC FUNCTIONS OF THE PARTIALLY DEUTERATED METHYL HALIDES AS ANHARMONIC OSCILLATORS [PDF]
J. R. Riter, Marvin C. Goldberg
openalex +1 more source
A nonlinear optical microscopy technique is introduced that enables rapid imaging of hexagonal boron nitride monolayers, which are usually optically invisible. The nonlinear mixing of mid‐infrared and visible laser pulses enables full crystallographic imaging through phase‐resolved sum‐frequency generation microscopy, where the resonant excitation of a
Niclas S. Mueller +15 more
wiley +1 more source
Decoherence Limits the Cost to Simulate an Anharmonic Oscillator [PDF]
Tzula B. Propp +4 more
openalex +1 more source
Suppressing Electron–Phonon Coupling via Solid Additives for High‐Performance Organic Solar Cells
This work highlights the importance of solid additives in suppressing the electron–phonon coupling effect as a key strategy for advancing organic photovoltaics. By suppressing electron–phonon coupling, solid additive BCN‐2 increases exciton lifetime and enhances exciton diffusion, leading to improved charge transport and a high power conversion ...
Misbah Sehar Abbasi +13 more
wiley +1 more source

