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Materials Chemistry

Working Paper

Impact of crystal structure on the lattice thermal conductivity of the IV-VI chalcogenides

Sophie Guillemot, Ady Suwardi, Nikolas Kaltsoyannis, Jonathan Skelton

Version 1 posted 12 October 2023

255

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Materials Chemistry

Working Paper

First principles search for novel ultrahard high-density carbon allotropes: hexagonal C6, C9 and C12

Samir F. Matar, Vladimir L. Solozhenko

Version 1 posted 20 February 2023

157

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Physical Chemistry

Working Paper

Approximate Models for the Lattice Thermal Conductivity of Alloy Thermoelectrics

Jonathan Skelton

Version 2 posted 03 June 2021

442

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Physical Chemistry

Working Paper

Cation Dynamics and Structural Stabilization in Formamidinium Lead Iodide Perovskites

Kacper Druzbicki, Rasmus Laven, Jeff Armstrong, Lorenzo Malavasi, Felix Fernandez-Alonso, Maths Karlsson

Version 1 posted 26 February 2021

938

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Physical Chemistry

Working Paper

Pressure Induced Topochemical Polymerizationof Solid Acryalmide Facilitated by Anisotropic Response of Hydrogen Bond Network

Sayan Maiti, Abhijeet Sadashiv Gangan, Ashwini Anshu, Rashid Rafeek V. Valappil, Brahmananda Chakraborty, Lavanya M. Ramaniah, Varadharajan Srinivasan

Version 2 posted 10 August 2020

576

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Physical Chemistry

Working Paper

Assessing Negative Thermal Expansion in Mesoporous Metal-Organic Frameworks by Molecular Simulation

Jack D. Evans, Johannes P. Dürholt, Stefan Kaskel, Rochus Schmid

Version 1 posted 21 June 2019

577

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Inorganic Chemistry

Working Paper

Rapid Prediction of Anisotropic Lattice Thermal Conductivity: Application to Layered Materials

Robert McKinney, Prashun Gorai, Eric S. Toberer, Vladan Stevanovic

Version 1 posted 10 December 2018

1,014

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Energy

Working Paper

Highly Anisotropic Thermal Transport in LiCoO2

Hui Yang, Jia-Yue Yang, Christopher Savory, Jonathan Skelton, Benjamin Morgan, David Scanlon, Aron Walsh

Version 2 posted 23 August 2019

1,578

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Materials Science

Working Paper

Novel ultrahard carbon allotropes from crystal chemistry and first principles: rhombohedral ene-C21 and yne-C24

Samir F. Matar, Vladimir L. Solozhenko

Version 1 posted 23 March 2023

137

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Materials Chemistry

Working Paper

Novel superhard phases in the B-C-N system from first principles: tetragonal C16, B8N8 and C6N8

Samir F. Matar, Vladimir L. Solozhenko

Version 1 posted 15 July 2022

209

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Refine Search

25 results in phonons in Keywords: phonons

Impact of crystal structure on the lattice thermal conductivity of the IV-VI chalcogenides

First principles search for novel ultrahard high-density carbon allotropes: hexagonal C6, C9 and C12

Approximate Models for the Lattice Thermal Conductivity of Alloy Thermoelectrics

Cation Dynamics and Structural Stabilization in Formamidinium Lead Iodide Perovskites

Pressure Induced Topochemical Polymerizationof Solid Acryalmide Facilitated by Anisotropic Response of Hydrogen Bond Network

Assessing Negative Thermal Expansion in Mesoporous Metal-Organic Frameworks by Molecular Simulation

Rapid Prediction of Anisotropic Lattice Thermal Conductivity: Application to Layered Materials

Highly Anisotropic Thermal Transport in LiCoO2

Novel ultrahard carbon allotropes from crystal chemistry and first principles: rhombohedral ene-C21 and yne-C24

Novel superhard phases in the B-C-N system from first principles: tetragonal C16, B8N8 and C6N8

25 results in Keywords: phonons