DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Nanoparticle dynamics in the spatial afterglows of nonthermal plasma synthesis reactors

Abstract

Nonthermal plasma flow tube reactors are industrially scalable systems for the production of nanocrystal (NC) based materials and coatings. One key advantage of nonthermal plasma synthesis is the ability to both synthesize NCs and deposit films in a single reactor, as at the reactor outlet, NCs can be inertially deposited onto a target substrate. The size and morphology of deposited particles can substantially influence the film structure and function. Though NCs are typically near-spherical and monodispersed as-produced in plasma synthesis reactors, NC charge and growth dynamics can be altered substantially when NCs are sampled out of the plasma and through the spatial afterglow region, affecting deposition. Experiments have demonstrated changes of NC size and charge in the spatial afterglow; however, these dynamics remain unexplored and unexplained via theory and simulation. To address this, we developed a constant number Monte Carlo (CNMC) simulation model to examine the mechanisms of NC decharging and growth in the spatial afterglow of plasma flow tube reactors. Collisions between NC and plasma species, diffusive deposition, and electron desorption from NCs are incorporated in the CNMC simulation. The simulation results are specifically compared with previous experiments on Si NCs synthesized from a low pressure Ar-SiH4 nonthermal plasmamore » reactor. Furthermore, the experiment-model comparison shows that CNMC models can be implemented which accurately model NC size distribution evolution in a spatial afterglow. Simultaneously, results show that improved collision models, energetic species diffusion models, and electron desorption models will be necessary to accurately depict NC dynamics in spatial afterglows.« less

Authors:
 [1];  [2]
  1. Univ. of Minnesota, Minneapolis, MN (United States); Washington Univ., St. Louis, MO (United States)
  2. Univ. of Minnesota, Minneapolis, MN (United States)
Publication Date:
Research Org.:
Univ. of Minnesota, Minneapolis, MN (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1820652
Alternate Identifier(s):
OSTI ID: 1780433
Grant/Contract Number:  
SC0018202
Resource Type:
Accepted Manuscript
Journal Name:
Chemical Engineering Journal
Additional Journal Information:
Journal Volume: 411; Journal ID: ISSN 1385-8947
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
42 ENGINEERING; Nanoparticle dynamics; Constant number Monte Carlo simulation; Nonthermal plasma synthesis; Spatial plasma afterglow

Citation Formats

Chen, Xiaoshuang, and Hogan, Jr., Christopher J. Nanoparticle dynamics in the spatial afterglows of nonthermal plasma synthesis reactors. United States: N. p., 2021. Web. doi:10.1016/j.cej.2020.128383.
Chen, Xiaoshuang, & Hogan, Jr., Christopher J. Nanoparticle dynamics in the spatial afterglows of nonthermal plasma synthesis reactors. United States. https://doi.org/10.1016/j.cej.2020.128383
Chen, Xiaoshuang, and Hogan, Jr., Christopher J. Mon . "Nanoparticle dynamics in the spatial afterglows of nonthermal plasma synthesis reactors". United States. https://doi.org/10.1016/j.cej.2020.128383. https://www.osti.gov/servlets/purl/1820652.
@article{osti_1820652,
title = {Nanoparticle dynamics in the spatial afterglows of nonthermal plasma synthesis reactors},
author = {Chen, Xiaoshuang and Hogan, Jr., Christopher J.},
abstractNote = {Nonthermal plasma flow tube reactors are industrially scalable systems for the production of nanocrystal (NC) based materials and coatings. One key advantage of nonthermal plasma synthesis is the ability to both synthesize NCs and deposit films in a single reactor, as at the reactor outlet, NCs can be inertially deposited onto a target substrate. The size and morphology of deposited particles can substantially influence the film structure and function. Though NCs are typically near-spherical and monodispersed as-produced in plasma synthesis reactors, NC charge and growth dynamics can be altered substantially when NCs are sampled out of the plasma and through the spatial afterglow region, affecting deposition. Experiments have demonstrated changes of NC size and charge in the spatial afterglow; however, these dynamics remain unexplored and unexplained via theory and simulation. To address this, we developed a constant number Monte Carlo (CNMC) simulation model to examine the mechanisms of NC decharging and growth in the spatial afterglow of plasma flow tube reactors. Collisions between NC and plasma species, diffusive deposition, and electron desorption from NCs are incorporated in the CNMC simulation. The simulation results are specifically compared with previous experiments on Si NCs synthesized from a low pressure Ar-SiH4 nonthermal plasma reactor. Furthermore, the experiment-model comparison shows that CNMC models can be implemented which accurately model NC size distribution evolution in a spatial afterglow. Simultaneously, results show that improved collision models, energetic species diffusion models, and electron desorption models will be necessary to accurately depict NC dynamics in spatial afterglows.},
doi = {10.1016/j.cej.2020.128383},
journal = {Chemical Engineering Journal},
number = ,
volume = 411,
place = {United States},
year = {Mon Jan 04 00:00:00 EST 2021},
month = {Mon Jan 04 00:00:00 EST 2021}
}

Works referenced in this record:

High-Yield Plasma Synthesis of Luminescent Silicon Nanocrystals
journal, April 2005

  • Mangolini, L.; Thimsen, E.; Kortshagen, U.
  • Nano Letters, Vol. 5, Issue 4
  • DOI: 10.1021/nl050066y

Nonthermal Plasma Synthesis of Nanocrystals: Fundamentals, Applications, and Future Research Needs
journal, September 2015


A Non-Thermal Plasma Route to Plasmonic TiN Nanoparticles
journal, January 2017

  • Alvarez Barragan, Alejandro; Ilawe, Niranjan V.; Zhong, Lanlan
  • The Journal of Physical Chemistry C, Vol. 121, Issue 4
  • DOI: 10.1021/acs.jpcc.6b08910

The 2017 Plasma Roadmap: Low temperature plasma science and technology
journal, July 2017

  • Adamovich, I.; Baalrud, S. D.; Bogaerts, A.
  • Journal of Physics D: Applied Physics, Vol. 50, Issue 32
  • DOI: 10.1088/1361-6463/aa76f5

Aerosol synthesis of silicon nanoparticles with narrow size distribution—Part 1: Experimental investigations
journal, November 2010


Aggregate Formation Under Homogeneous Silane Thermal Decomposition
journal, November 2000


Particle charging in low‐pressure plasmas
journal, May 1995

  • Matsoukas, Themis; Russell, Marc
  • Journal of Applied Physics, Vol. 77, Issue 9
  • DOI: 10.1063/1.359451

Localized surface plasmon resonances arising from free carriers in doped quantum dots
journal, April 2011

  • Luther, Joseph M.; Jain, Prashant K.; Ewers, Trevor
  • Nature Materials, Vol. 10, Issue 5, p. 361-366
  • DOI: 10.1038/nmat3004

Germanium and Silicon Nanocrystal Thin-Film Field-Effect Transistors from Solution
journal, July 2010

  • Holman, Zachary C.; Liu, Chin-Yi; Kortshagen, Uwe R.
  • Nano Letters, Vol. 10, Issue 7
  • DOI: 10.1021/nl101413d

Peak External Photocurrent Quantum Efficiency Exceeding 100% via MEG in a Quantum Dot Solar Cell
journal, December 2011


Colloidal Quantum Dot Solar Cells
journal, June 2015


In Vivo Imaging of Quantum Dots Encapsulated in Phospholipid Micelles
journal, November 2002


Quantum Dot Light-Emitting Devices with Electroluminescence Tunable over the Entire Visible Spectrum
journal, July 2009

  • Anikeeva, Polina O.; Halpert, Jonathan E.; Bawendi, Moungi G.
  • Nano Letters, Vol. 9, Issue 7
  • DOI: 10.1021/nl9002969

Silicon nanocrystals with ensemble quantum yields exceeding 60%
journal, June 2006

  • Jurbergs, David; Rogojina, Elena; Mangolini, Lorenzo
  • Applied Physics Letters, Vol. 88, Issue 23
  • DOI: 10.1063/1.2210788

Controlled Doping of Silicon Nanocrystals Investigated by Solution-Processed Field Effect Transistors
journal, May 2014

  • Gresback, Ryan; Kramer, Nicolaas J.; Ding, Yi
  • ACS Nano, Vol. 8, Issue 6
  • DOI: 10.1021/nn500182b

High-Efficiency Silicon Nanocrystal Light-Emitting Devices
journal, May 2011

  • Cheng, Kai-Yuan; Anthony, Rebecca; Kortshagen, Uwe R.
  • Nano Letters, Vol. 11, Issue 5
  • DOI: 10.1021/nl2001692

Hybrid Solar Cells from P3HT and Silicon Nanocrystals
journal, January 2009

  • Liu, Chin-Yi; Holman, Zachary C.; Kortshagen, Uwe R.
  • Nano Letters, Vol. 9, Issue 1
  • DOI: 10.1021/nl8034338

Doped silicon nanocrystals from organic dopant precursor by a SiCl 4 -based high frequency nonthermal plasma
journal, November 2014

  • Zhou, Shu; Ding, Yi; Pi, Xiaodong
  • Applied Physics Letters, Vol. 105, Issue 18
  • DOI: 10.1063/1.4901278

A flexible method for depositing dense nanocrystal thin films: impaction of germanium nanocrystals
journal, July 2010


High electron mobility in thin films formed via supersonic impact deposition of nanocrystals synthesized in nonthermal plasmas
journal, December 2014

  • Thimsen, Elijah; Johnson, Melissa; Zhang, Xin
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms6822

Metal-insulator transition in a semiconductor nanocrystal network
journal, August 2019

  • Greenberg, Benjamin L.; Robinson, Zachary L.; Ayino, Yilikal
  • Science Advances, Vol. 5, Issue 8
  • DOI: 10.1126/sciadv.aaw1462

Nanostructured materials production by hypersonic plasma particle deposition
journal, January 1997


Microplasmas for direct, substrate-independent deposition of nanostructured metal oxides
journal, July 2016

  • Mackie, Katherine E.; Pebley, Andrew C.; Butala, Megan M.
  • Applied Physics Letters, Vol. 109, Issue 3
  • DOI: 10.1063/1.4959564

An All-Gas-Phase Approach for the Fabrication of Silicon Nanocrystal Light-Emitting Devices
journal, May 2012

  • Anthony, Rebecca J.; Cheng, Kai-Yuan; Holman, Zachary C.
  • Nano Letters, Vol. 12, Issue 6
  • DOI: 10.1021/nl300164z

One-step aerosol synthesis of nanoparticle agglomerate films: simulation of film porosity and thickness
journal, September 2006


Influence of the Percolation Network Geometry on Electron Transport in Dye-Sensitized Titanium Dioxide Solar Cells
journal, July 2003

  • Benkstein, K. D.; Kopidakis, N.; van de Lagemaat, J.
  • The Journal of Physical Chemistry B, Vol. 107, Issue 31
  • DOI: 10.1021/jp022681l

Monitoring non-thermal plasma processes for nanoparticle synthesis
journal, August 2017


The charge of micro-particles in a low pressure spatial plasma afterglow
journal, June 2019

  • van Minderhout, B.; Peijnenburg, T.; Blom, P.
  • Journal of Physics D: Applied Physics, Vol. 52, Issue 32
  • DOI: 10.1088/1361-6463/ab2525

Determination of nanoparticle collision cross section distribution functions in low pressure plasma synthesis reactors via ion mobility spectrometry
journal, February 2019


Characterization of particle charging in low-temperature, atmospheric-pressure, flow-through plasmas
journal, April 2020

  • Sharma, Girish; Abuyazid, Nabiel; Dhawan, Sukrant
  • Journal of Physics D: Applied Physics, Vol. 53, Issue 24
  • DOI: 10.1088/1361-6463/ab7c97

Size and structural characterization of Si nanocrystal aggregates from a low pressure nonthermal plasma reactor
journal, August 2020


Characterization of the state of nanoparticle aggregation in non-equilibrium plasma synthesis systems
journal, July 2018

  • Chen, Xiaoshuang; Ghosh, Souvik; Buckley, David T.
  • Journal of Physics D: Applied Physics, Vol. 51, Issue 33
  • DOI: 10.1088/1361-6463/aad26f

Detailed population balance modelling of TiO 2 synthesis in an industrial reactor
journal, June 2017


Numerical simulation and parametric sensitivity study of titanium dioxide particles synthesised in a stagnation flame
journal, December 2019


On the coagulation efficiency of carbonaceous nanoparticles
journal, February 2020


Large eddy simulation of soot evolution in an aircraft combustor
journal, November 2013

  • Mueller, Michael E.; Pitsch, Heinz
  • Physics of Fluids, Vol. 25, Issue 11
  • DOI: 10.1063/1.4819347

Kinetic Monte Carlo simulation for homogeneous nucleation of metal nanoparticles during vapor phase synthesis
journal, August 2017

  • Davari, Seyyed Ali; Mukherjee, Dibyendu
  • AIChE Journal, Vol. 64, Issue 1
  • DOI: 10.1002/aic.15887

Coagulation of nanoparticles in a plasma
journal, February 2009


Synthesis of Silicon Nanoparticles in Nonthermal Capacitively-Coupled Flowing Plasmas: Processes and Transport
journal, May 2016

  • Le Picard, Romain; Markosyan, Aram H.; Porter, David H.
  • Plasma Chemistry and Plasma Processing, Vol. 36, Issue 4
  • DOI: 10.1007/s11090-016-9721-6

Numerical Modeling of an RF Argon–Silane Plasma with Dust Particle Nucleation and Growth
journal, December 2013

  • Agarwal, Pulkit; Girshick, Steven L.
  • Plasma Chemistry and Plasma Processing, Vol. 34, Issue 3
  • DOI: 10.1007/s11090-013-9511-3

Constant-number Monte Carlo simulation of population balances
journal, May 1998


Direct simulation Monte Carlo method for particle coagulation and aggregation
journal, September 2000

  • Kruis, F. Einar; Maisels, Arkadi; Fissan, Heinz
  • AIChE Journal, Vol. 46, Issue 9
  • DOI: 10.1002/aic.690460905

Field induced ion evaporation from liquid surfaces at atmospheric pressure
journal, December 1979

  • Thomson, B. A.; Iribarne, J. V.
  • The Journal of Chemical Physics, Vol. 71, Issue 11
  • DOI: 10.1063/1.438198

A continuum model for ion evaporation from a drop: effect of curvature and charge on ion solvation energy
journal, February 2000


Physisorption kinetics of electrons at plasma boundaries
journal, July 2009


High potential, near free molecular regime Coulombic collisions in aerosols and dusty plasmas
journal, May 2019


Ion energy distributions, electron temperatures, and electron densities in Ar, Kr, and Xe pulsed discharges
journal, May 2012

  • Shin, Hyungjoo; Zhu, Weiye; Economou, Demetre J.
  • Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 30, Issue 3
  • DOI: 10.1116/1.4705515

Influence of the ambipolar-to-free diffusion transition on dust particle charge in a complex plasma afterglow
journal, June 2008

  • Couëdel, L.; Samarian, A. A.; Mikikian, M.
  • Physics of Plasmas, Vol. 15, Issue 6
  • DOI: 10.1063/1.2938387

Kinetics of small ion evaporation from the charge and mass distribution of multiply charged clusters in electrosprays
journal, January 2000


Tandem ion mobility-mass spectrometry (IMS-MS) study of ion evaporation from ionic liquid-acetonitrile nanodrops
journal, January 2009

  • Hogan Jr, Christopher J.; Fernández de la Mora, Juan
  • Physical Chemistry Chemical Physics, Vol. 11, Issue 36
  • DOI: 10.1039/b904022f

Coagulation in bipolar aerosol chargers
journal, November 2004


GPU-accelerated Monte Carlo simulation of particle coagulation based on the inverse method
journal, September 2013


Constant number Monte Carlo simulation of population balances with multiple growth mechanisms
journal, November 2010

  • Khalili, Samira; Lin, Yulan; Armaou, Antonios
  • AIChE Journal, Vol. 56, Issue 12
  • DOI: 10.1002/aic.12233

Solution of the population balance equation using constant-number Monte Carlo
journal, June 2002


Selective nanoparticle heating: Another form of nonequilibrium in dusty plasmas
journal, February 2009


Comparison of the predictions of Langevin Dynamics-based diffusion charging collision kernel models with canonical experiments
journal, February 2020


An experimentally validated model of diffusion charging of arbitrary shaped aerosol particles
journal, January 2021


Calculation of the ion–ion recombination rate coefficient via a hybrid continuum-molecular dynamics approach
journal, March 2020

  • Tamadate, Tomoya; Higashi, Hidenori; Seto, Takafumi
  • The Journal of Chemical Physics, Vol. 152, Issue 9
  • DOI: 10.1063/1.5144772

Probe theory - the orbital motion approach
journal, May 1992


On the saturation of unipolar and bipolar diffusion charging of aerosols
journal, August 2020


Electron emission from particles strongly affects the electron energy distribution in dusty plasmas
journal, March 2020

  • Woodard, Austin; Shojaei, Kamran; Berrospe-Rodriguez, Carla
  • Journal of Vacuum Science & Technology A, Vol. 38, Issue 2
  • DOI: 10.1116/1.5134706

Mechanisms of electrospray ionization of singly and multiply charged salt clusters
journal, February 2000


Monte Carlo Simulation of Multicomponent Aerosols Undergoing Simultaneous Coagulation and Condensation
journal, October 2004

  • Sun, Z.; Axelbaum, R.; Huertas, J.
  • Aerosol Science and Technology, Vol. 38, Issue 10
  • DOI: 10.1080/027868290513847

Drift Velocities of Ions in Krypton and Xenon
journal, October 1952


Global models of pulse-power-modulated high-density, low-pressure discharges
journal, May 1996


The self-preserving particle size distribution for coagulation by Brownian motion
journal, June 1967


The Mobility–Volume Relationship below 3.0 nm Examined by Tandem Mobility–Mass Measurement
journal, March 2011


Determination of the Scalar Friction Factor for Nonspherical Particles and Aggregates Across the Entire Knudsen Number Range by Direct Simulation Monte Carlo (DSMC)
journal, October 2012


Ion Mobilities in Diatomic Gases: Measurement versus Prediction with Non-Specular Scattering Models
journal, April 2013

  • Larriba, Carlos; Hogan, Christopher J.
  • The Journal of Physical Chemistry A, Vol. 117, Issue 19
  • DOI: 10.1021/jp312432z

The size-mobility relationship of ions, aerosols, and other charged particle matter.
journal, January 2021


Theory of a screen-type diffusion battery
journal, January 1980


Particle nucleation and growth in dusty plasmas: On the importance of charged-neutral interactions
journal, January 2020

  • Girshick, Steven L.
  • Journal of Vacuum Science & Technology A, Vol. 38, Issue 1
  • DOI: 10.1116/1.5136337

Electrostatic enhancement factor for the coagulation of silicon nanoparticles in low-temperature plasmas
journal, April 2019

  • Santos, Benjamin; Cacot, Laura; Boucher, Claude
  • Plasma Sources Science and Technology, Vol. 28, Issue 4
  • DOI: 10.1088/1361-6595/ab0a2b