Role of Surface Termination on Hot Electron Relaxation in Silicon Quantum Dots: A First-Principles Dynamics Simulation Study

Kyle G. Reeves; André Schleife; Alfredo A. Correa; Yosuke Kanai

doi:10.1021/acs.nanolett.5b01707

Role of Surface Termination on Hot Electron Relaxation in Silicon Quantum Dots: A First-Principles Dynamics Simulation Study

Nano Letters ◽

10.1021/acs.nanolett.5b01707 ◽

2015 ◽

Vol 15 (10) ◽

pp. 6429-6433 ◽

Cited By ~ 33

Author(s):

Kyle G. Reeves ◽

André Schleife ◽

Alfredo A. Correa ◽

Yosuke Kanai

Keyword(s):

Quantum Dots ◽

Simulation Study ◽

First Principles ◽

Dynamics Simulation ◽

Hot Electron ◽

Silicon Quantum Dots ◽

Surface Termination ◽

Electron Relaxation

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Size Dependence and Role of Decoherence in Hot Electron Relaxation within Fluorinated Silicon Quantum Dots: A First-Principles Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.8b08030 ◽

2018 ◽

Vol 122 (51) ◽

pp. 29526-29536 ◽

Cited By ~ 9

Author(s):

Jian Cheng Wong ◽

Lesheng Li ◽

Yosuke Kanai

Keyword(s):

Quantum Dots ◽

First Principles ◽

Size Dependence ◽

Hot Electron ◽

Silicon Quantum Dots ◽

First Principles Study ◽

Electron Relaxation

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First-Principles Study of p-n-Doped Silicon Quantum Dots: Charge Transfer, Energy Dissipation, and Time-Resolved Emission

The Journal of Physical Chemistry Letters ◽

10.1021/jz400760h ◽

2013 ◽

Vol 4 (17) ◽

pp. 2906-2913 ◽

Cited By ~ 42

Author(s):

Jiangchao Chen ◽

Andrew Schmitz ◽

Talgat Inerbaev ◽

Qingguo Meng ◽

Svetlana Kilina ◽

...

Keyword(s):

Quantum Dots ◽

Charge Transfer ◽

Energy Dissipation ◽

First Principles ◽

Transfer Energy ◽

Silicon Quantum Dots ◽

Time Resolved ◽

First Principles Study ◽

Charge Transfer Energy ◽

Doped Silicon

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Solution behaviour of poly(N-isopropylacrylamide) stereoisomers in water: a molecular dynamics simulation study

Physical Chemistry Chemical Physics ◽

10.1039/c7cp00808b ◽

2017 ◽

Vol 19 (19) ◽

pp. 11892-11903 ◽

Cited By ~ 10

Author(s):

G. Paradossi ◽

E. Chiessi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Atomistic Simulations ◽

Solution Behaviour

Atomistic simulations disclose the key role of the cooperative hydration in the tacticity-dependent hydrophobicity of poly(N-isopropylacrylamide).

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Electronic States and Luminescence in Porous Silicon Quantum Dots: The Role of Oxygen

Physical Review Letters ◽

10.1103/physrevlett.82.197 ◽

1999 ◽

Vol 82 (1) ◽

pp. 197-200 ◽

Cited By ~ 1622

Author(s):

M. V. Wolkin ◽

J. Jorne ◽

P. M. Fauchet ◽

G. Allan ◽

C. Delerue

Keyword(s):

Quantum Dots ◽

Porous Silicon ◽

Electronic States ◽

Silicon Quantum Dots

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Role of a Solid–Electrolyte Interphase in the Dendritic Electrodeposition of Lithium: A Brownian Dynamics Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c00243 ◽

2020 ◽

Vol 124 (17) ◽

pp. 9134-9141

Author(s):

Kisang Byun ◽

Joyanta K. Saha ◽

Joonkyung Jang

Keyword(s):

Solid Electrolyte ◽

Simulation Study ◽

Brownian Dynamics ◽

Solid Electrolyte Interphase ◽

Dynamics Simulation ◽

Brownian Dynamics Simulation

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NH4+ Resides Inside the Water 20-mer Cage As Opposed to H3O+, Which Resides on the Surface: A First Principles Molecular Dynamics Simulation Study

Journal of Chemical Theory and Computation ◽

10.1021/ct200486c ◽

2011 ◽

Vol 7 (11) ◽

pp. 3461-3465 ◽

Cited By ~ 7

Author(s):

Soohaeng Yoo Willow ◽

N. Jiten Singh ◽

Kwang S. Kim

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

First Principles ◽

Dynamics Simulation ◽

First Principles Molecular Dynamics

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Molecular insights into the role of char-bound hydrogen in char-NO reactions under high pressures: A reactive molecular dynamics simulation study

Fuel ◽

10.1016/j.fuel.2021.121997 ◽

2022 ◽

Vol 308 ◽

pp. 121997

Author(s):

Dikun Hong ◽

Ming Lei ◽

Shuang Yue ◽

Chunbo Wang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

High Pressures ◽

Dynamics Simulation ◽

Reactive Molecular Dynamics

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Experimental and theoretical rationalization of the growth mechanism of silicon quantum dots in non-stoichiometric SiNx: role of chlorine in plasma enhanced chemical vapour deposition

Nanotechnology ◽

10.1088/0957-4484/27/45/455703 ◽

2016 ◽

Vol 27 (45) ◽

pp. 455703 ◽

Cited By ~ 8

Author(s):

E Mon-Pérez ◽

J Salazar ◽

E Ramos ◽

J Santoyo Salazar ◽

A López Suárez ◽

...

Keyword(s):

Quantum Dots ◽

Chemical Vapour Deposition ◽

Growth Mechanism ◽

Vapour Deposition ◽

Chemical Vapour ◽

Silicon Quantum Dots

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The surface termination effect on the quantum confinement and electron affinities of 3C-SiC quantum dots: a first-principles study

Nanoscale ◽

10.1039/c2nr12099b ◽

2012 ◽

Vol 4 (5) ◽

pp. 1592 ◽

Cited By ~ 6

Author(s):

Zhenkui Zhang ◽

Ying Dai ◽

Lin Yu ◽

Meng Guo ◽

Baibiao Huang ◽

...

Keyword(s):

Quantum Dots ◽

First Principles ◽

Quantum Confinement ◽

Electron Affinities ◽

Surface Termination ◽

First Principles Study

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Role of the substrate on the growth of silicon quantum dots embedded in silicon nitride thin films

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2018.01.032 ◽

2018 ◽

Vol 208 ◽

pp. 61-67 ◽

Cited By ~ 5

Author(s):

A. Rodríguez-Gómez ◽

M. Moreno-Rios ◽

R. García-García ◽

A.L. Pérez-Martínez ◽

J. Reyes-Gasga

Keyword(s):

Thin Films ◽

Quantum Dots ◽

Silicon Nitride ◽

Silicon Quantum Dots

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