Cargando…

Quantum Phonon Transport in Nanomaterials: Combining Atomistic with Non-Equilibrium Green’s Function Techniques

A crucial goal for increasing thermal energy harvesting will be to progress towards atomistic design strategies for smart nanodevices and nanomaterials. This requires the combination of computationally efficient atomistic methodologies with quantum transport based approaches. Here, we review our rec...

Descripción completa

Detalles Bibliográficos
Autores principales:	Medrano Sandonas, Leonardo, Gutierrez, Rafael, Pecchia, Alessandro, Croy, Alexander, Cuniberti, Gianaurelio
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2019
Materias:	Review
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7515264/ https://www.ncbi.nlm.nih.gov/pubmed/33267449 http://dx.doi.org/10.3390/e21080735

Ejemplares similares

First‐Principle‐Based Phonon Transport Properties of Nanoscale Graphene Grain Boundaries
por: Sandonas, Leonardo Medrano, et al.
Publicado: (2018)

Copper Induced Conformational Changes of Tripeptide Monolayer Based Impedimetric Biosensor
por: Mervinetsky, Evgeniy, et al.
Publicado: (2017)

In-Situ Stretching Patterned Graphene Nanoribbons in the Transmission Electron Microscope
por: Liao, Zhongquan, et al.
Publicado: (2017)

Exploring the similarity of single-layer covalent organic frameworks using electronic structure calculations
por: Raptakis, Antonios, et al.
Publicado: (2022)

Effect of lubricants on the rotational transmission between solid-state gears
por: Lin, Huang-Hsiang, et al.
Publicado: (2022)

Polymerization driven monomer passage through monolayer chemical vapour deposition graphene
por: Zhang, Tao, et al.
Publicado: (2018)

Quantum interference based Boolean gates in dangling bond loops on Si(100):H surfaces
por: Kleshchonok, Andrii, et al.
Publicado: (2015)

Phonon thermal transport in silicon-based nanomaterials
por: Li, Hai-Peng, et al.
Publicado: (2018)

Olfactory Perception in Relation to the Physicochemical Odor Space
por: Bierling, Antonie Louise, et al.
Publicado: (2021)

Atomistic Engineering of Phonons in Functional Oxide Heterostructures
por: Jeong, Seung Gyo, et al.
Publicado: (2022)

Phononic Thermal Transport along Graphene Grain Boundaries: A Hidden Vulnerability
por: Tong, Zhen, et al.
Publicado: (2021)

Out-of-equilibrium phonons in gated superconducting switches
por: Ritter, M. F., et al.
Publicado: (2022)

Phonon Transport through Nanoscale Contact in Tip-Based Thermal Analysis of Nanomaterials
por: Dulhani, Jay, et al.
Publicado: (2017)

Calculation and Visualization of Atomistic Mechanical Stresses in Nanomaterials and Biomolecules
por: Fenley, Andrew T., et al.
Publicado: (2014)

Phonon-mediated room-temperature quantum Hall transport in graphene
por: Vaquero, Daniel, et al.
Publicado: (2023)

Quantum phononics: introduction to ultrafast dynamics of optical phonons
por: Nakamura, Kazutaka
Publicado: (2019)

“Freedom of design” in chemical compound space: towards rational in silico design of molecules with targeted quantum-mechanical properties
por: Medrano Sandonas, Leonardo, et al.
Publicado: (2023)

Quantum statistical mechanics: Green's function methods in equilibrium and nonequilibirum problems
por: Kadanoff, Leo P, et al.
Publicado: (1962)

QM7-X, a comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules
por: Hoja, Johannes, et al.
Publicado: (2021)

Data-driven tailoring of molecular dipole polarizability and frontier orbital energies in chemical compound space
por: Góger, Szabolcs, et al.
Publicado: (2023)

Atomistic Perspective on Biomolecular Adsorption on Functionalized Carbon Nanomaterials under Ambient Conditions
por: Saeedimasine, Marzieh, et al.
Publicado: (2020)

Spin-Polarized Electron Transmission in DNA-Like Systems
por: Sierra, Miguel A., et al.
Publicado: (2019)

Phonon-Induced Pairing in Quantum Dot Quantum Simulator
por: Bhattacharya, Utso, et al.
Publicado: (2021)

Introducing Molecular Electronics
por: Cuniberti, Gianaurelio, et al.
Publicado: (2005)

Tunable quantum gaps to decouple carrier and phonon transport leading to high-performance thermoelectrics
por: Yu, Yong, et al.
Publicado: (2022)

Phonon and heat transport control using pillar-based phononic crystals
por: Anufriev, Roman, et al.
Publicado: (2018)

Heat guiding and focusing using ballistic phonon transport in phononic nanostructures
por: Anufriev, Roman, et al.
Publicado: (2017)

Superelasticity of Carbon Nanocoils from Atomistic Quantum Simulations
por: Liu, Li Zhao, et al.
Publicado: (2010)

Direct observation of large electron–phonon interaction effect on phonon heat transport
por: Zhou, Jiawei, et al.
Publicado: (2020)

Phonon–phonon scattering selection rules and control: an application to nanofriction and thermal transport
por: Cammarata, Antonio
Publicado: (2019)

Atomistic Modeling of Liquid-Liquid Phase Equilibrium Explains Dependence of Critical Temperature on γ-Crystallin Sequence
por: Qin, Sanbo, et al.
Publicado: (2023)

Atomistic modeling of liquid-liquid phase equilibrium explains dependence of critical temperature on γ-crystallin sequence
por: Qin, Sanbo, et al.
Publicado: (2023)

Large-scale atomistic and quantum-mechanical simulations of a Nafion membrane: Morphology, proton solvation and charge transport
por: Komarov, Pavel V, et al.
Publicado: (2013)

The Molecular Photo-Cell: Quantum Transport and Energy Conversion at Strong Non-Equilibrium
por: Ajisaka, Shigeru, et al.
Publicado: (2015)

Topological phonon transport in an optomechanical system
por: Ren, Hengjiang, et al.
Publicado: (2022)

Interface Phonons and Polaron Effect in Quantum Wires
por: Maslov, A Yu, et al.
Publicado: (2010)

Nanoscale Quantum Thermal Conductance at Water Interface: Green’s Function Approach Based on One-Dimensional Phonon Model
por: Umegaki, Toshihito, et al.
Publicado: (2020)

A bottom-up route to enhance thermoelectric figures of merit in graphene nanoribbons
por: Sevinçli, Hâldun, et al.
Publicado: (2013)

ERRATUM: A bottom-up route to enhance thermoelectric figures of merit in graphene nanoribbons
por: Sevinçli, Hâldun, et al.
Publicado: (2013)

Hybrid Silicon Nanowire Devices and Their Functional Diversity
por: Baraban, Larysa, et al.
Publicado: (2019)

Cannot write session to /tmp/vufind_sessions/sess_4ej2b6a5qahktnmh1lqhj59cjm