Simulations of nanocrystals under pressure: Combining electronic enthalpy and linear-scaling density-functional theory
Author:
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://scitation.aip.org/deliver/fulltext/aip/journal/jcp/139/8/1.4819132.pdf?itemId=/content/aip/journal/jcp/139/8/10.1063/1.4819132&mimeType=pdf&containerItemId=content/aip/journal/jcp
Reference82 articles.
1. Nanomaterials under high-pressure
2. High-Pressure Structural Transformations in Semiconductor Nanocrystals
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4. Perspectives on the Physical Chemistry of Semiconductor Nanocrystals
5. Quantum Dots as Cellular Probes
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1. The ONETEP linear-scaling density functional theory program;The Journal of Chemical Physics;2020-05-07
2. Finite Systems under Pressure: Assessing Volume Definition Models from Parallel-Tempering Monte Carlo Simulations;The Journal of Physical Chemistry A;2020-05-05
3. Unravelling the Roles of Size, Ligands, and Pressure in the Piezochromic Properties of CdS Nanocrystals;Nano Letters;2017-01-27
4. Pressure-Induced Amorphization and a New High Density Amorphous Metallic Phase in Matrix-Free Ge Nanoparticles;Nano Letters;2015-10-20
5. Linear-Scaling TDDFT Within the PAW Formalism;Computing the Optical Properties of Large Systems;2015
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