Laser-Materials Interactions: Theory and Experiment (Kay's BES-Surface Kinetics, PNNL Scope #16248)
EMSL Project ID
4792
Abstract
Laser ablation and desorption techniques form the basis of unique methods for producing novel materials, performing sophisticated chemical analysis or medical procedures. Although laser ablation/desorption techniques are utilized extensively across a diverse range of disciplines, detailed mechanistic understanding has proved elusive due to the inherent complexity of the initial laser solid interaction and subsequent particle emission processes. The primary laser absorption may occur through linear or nonlinear mechanisms and through intrinsic or extrinsic photo-centers; further complications are introduced by the many-bodied dynamics that ultimately lead to particle emission. Many of the key processes (i.e. electron/hole-pair recombination, trapping, exciton relaxation, electron/phonon interactions, etc.) occur on a sub-nanosecond time-scale and femtosecond laser studies are needed to clarify the role of ultrafast phenomena involved in laser desorption processes. To obtain detailed understanding of laser desorption a collaborative experimental and theoretical effort is essential as laser desorption dynamics are simply too complicated for experiment or theory alone to unravel. This SOW describes a program to provide support for the theory component of an integrated experimental and theoretical study of laser desorption of ionic crystals (e.g. LiF, KI, KBr, Kcl, NaCl, MgO, and others). Laser dissociation may be used for production of ground and excited state halogen or oxygen atoms. These atoms may be used to etch or oxidize silicon wafer to form thin layers of silicon oxide. The mechanism of halogen and O-atom desorption will be investigated theoretically using techniques developed at UCL.Project Details
Project type
Exploratory Research
Start Date
2003-11-24
End Date
2006-11-15
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
Acharya, CK, and CH Turner. 2008 “Co Oxidation with Pt(1 1 1) Supported on Pure and Boron-Doped Carbon: A Dft Investigation.” Surface Science 602(23): 3595-3602. (U Alabama – MSCF) doi:10.1016/j.susc.2008.09.037
Acharya CK, and C Turner. 2007. "Effect of an Electric Field on the Adsorption of Metal Clusters on Boron-Doped Carbon Surfaces." Journal of Physical Chemistry C 111:14804-14812. doi:10.1021/jp073643a
Acharya, C. K., Sullivan, D. I., and Turner, C. H., "Characterizing the interaction of Pt and PtRu clusters with boron-doped, nitrogen-doped, and activated carbon: DFT calculations and parameterization", Journal of Physical Chemistry C 112, 13607-13622 (2008).
An W, and CH Turner. 2009. "Chemisorption of Transition-Metal Atoms on Boron- and Nitrogen-Doped Carbon Nanotubes: Energetics and Geometric and Electronic Structures." Journal of Physical Chemistry C 113(17):7069 - 7078. doi:10.1021/jp9000913
An W, and CH Turner. 2009. "Electronic Structure Calculations of Gas Adsorption on Boron-doped Carbon Nanotubes Sensitized with Tungsten." Chemical Physics Letters 482(4-6):274-280. doi:10.1016/j.cplett.2009.10.008
An W, and CH Turner. 2009. "Transition-Metal Strings Templated on Boron-Doped Carbon Nanotubes: A DFT Investigation." Journal of Physical Chemistry C 113(34):15346-15354. doi:10.1021/jp9052715
An W, and CH Turner. 2010. "Linking Carbon and Boron-Nitride Nanotubes: Heterojunction Energetics and Band Gap Tuning." The Journal of Physical Chemistry Letters 1(15):2269-2273. doi:10.1021/jz100753x
An W, and CH Turner. 2010. "Linking Carbon and Boron-Nitride Nanotubes: Heterojunction Energetics and Band Gap Tuning." The Journal of Physical Chemistry Letters 1(15):2269-2273. doi:10.1021/jz100753x
An W, and CH Turner. 2010. "Structural, Electronic, and Magnetic Features of Platinum Alloy Strings Templated on A Boron-Doped Carbon Nanotube." Physical Review. B, Condensed Matter and Materials Physics 81(20):205433-1 through 205433-8. doi:10.1103/PhysRevB.81.205433
An W, and CH Turner. 2010. "Structural, Electronic, and Magnetic Features of Platinum Alloy Strings Templated on A Boron-Doped Carbon Nanotube." Physical Review. B, Condensed Matter and Materials Physics 81(20):205433-1 through 205433-8. doi:10.1103/PhysRevB.81.205433
An W, D Gatewood, BI Dunlap, and C Turner. 2011. "Catalytic Activity of Bimetallic Nickel Alloys for Solid-Oxide Fuel Cell Anode Reactions from Density-Functional Theory." Journal of Power Sources 196(10):4724-4728. doi:10.1016/j.jpowsour.2011.01.007
An W, L Wintzinger, CH Turner, and Y Bao. "A Combined Computational/Experimental Study of Fluorescent Gold Nanocluster Complexes." , Pacific Northwest National Laboratory, Richland, WA. [Unpublished]
An W, XC Zeng, and CH Turner. 2009. "First-principles Study of Methane Dehydrogenation on a Bimetallic Cu/Ni(111) Surface." Journal of Chemical Physics 131(17):174702/1-174702/11. doi:10.1063/1.3254383
Bao N, L Shen, W An, P Padhan, CH Turner, and A Gupta. 2009. "Formation Mechanism and Shape Control of Monodisperse Magnetic CoFe2O4 Nanocrystals." Chemistry of Materials 21(14):3458-3468. doi:10.1021/cm901033m
Bao Y, W An, CH Turner, and KM Krishnan. 2010. "The Critical Role of Surfactants in the Growth of Cobalt Nanoparticles." Langmuir 26(1):478–483. doi:10.1021/la902120e
Beck KM, M Henyk, CM Wang, PE Trevisanutto, P Sushko, WP Hess, and AL Shluger. 2006. "Site-Specific Laser Modification of MgO nanoclusters: Towards Atomic-Scale Surface Structuring." Physical Review. B, Condensed Matter 74:045404 (5 pages).
Challacombe J., J. Challacombe, C.N. Hesse, L.M. Bramer, L. McCue, M.S. Lipton, and S.O. Purvine, et al. 2019. "Genomes and Secretomes of Ascomycota Fungi Reveal Diverse Functions in Plant Biomass Decomposition and Pathogenesis." BMC Genomics 20, no. 1:Article No. 976. PNNL-SA-140986. doi:10.1186/s12864-019-6358-x
Chaput, Gina, Andrew F. Billings, Lani DeDiego, Roberto Orellana, Joshua N. Adkins, Carrie D. Nicora, Young-Mo Kim, Rosalie Chu, Blake Simmons, and Kristen M. DeAngelis. "Lignin induced iron reduction by novel sp., Tolumonas lignolytic BRL6-1." PloS one 15, no. 9 (2020): e0233823.
Chatterjee S, AE Norton, MK Edwards, JM Peterson, D taylor, SA Bryan, A Andersen, N Govind, TE Albrecht-Schmitt, W Connick, and TG Levitskaia. 2015. "Highly Selective Colorimetric and Luminescence Response of a Square-Planar Platinum(II) Terpyridyl Complex to Aqueous TcO4?." Inorganic Chemistry 54(20):9914-9923. doi:10.1021/acs.inorgchem.5b01664
Chatterjee S., M.S. Fujimoto, N.L. Canfield, M.R. Elmore, D.W. Olson, E.C. Buck, and M.A. Conroy, et al. 2019. "An Electrochemical Technique for Controlled Dissolution of Zirconium Based Components of Light Water Reactors." RSC Advances 9, no. 4:1869-1881. PNNL-SA-140123. doi:10.1039/C8RA08693A
Henyk M, KM Beck, MH Engelhard, AG Joly, WP Hess, and JT Dickinson. 2005. "Surface Electronic Properties and Site-Specific Laser Desorption Processes of Highly Structured Nanoporous MgO Thin Films." Surface Science 593(1-3):242-247.
Hess WP, AG Joly, KM Beck, M Henyk, PV Sushko, PE Trevisanutto, and AL Shluger. 2005. "Laser Control of Desorption Through Selective Surface Excitation." Journal of Physical Chemistry B 109(42):19563-19578.
K.M. Beck, A.G. Joly, O. Diwald, S. Stankic, P.E. Trevisanutto, P.V. Sushko, A.L. Shluger, and W.P. Hess, “Energy and site selectivity in O-atom photodesorption from nanostructured MgO”, Surf. Sci. 602, 1968 (2008).
Levitskaia TG, S Chatterjee, N Pence, J Romero, T Varga, MH Engelhard, Y Du, L Kovarik, BW Arey, ME Bowden, and ED Walter. 2016. "Inorganic Tin Aluminophosphate Nanocomposite for Reductive Separation of Pertechnetate." Environmental Science: Nano 3(2):1003-1013. doi:10.1039/C6EN00130K
Palchoudhury S, Y Xu, W An, CH Turner, and Y Bao. 2010. "Platinum Attachments on Iron Oxide Nanoparticle Surfaces." Journal of Applied Physics 107(9):09B311-1 through 09B311-3. doi:10.1063/1.3355899
Palchoudhury S, Y Xu, W An, CH Turner, and Y Bao. 2010. "Platinum Attachments on Iron Oxide Nanoparticle Surfaces." Journal of Applied Physics 107(9):09B311-1 through 09B311-3. doi:10.1063/1.3355899
Tanimura K, E Inami, J Kanasaki, and WP Hess. 2006. "Two-Hole Localization Mechanism for Electron Bond Rupture of Surface Atoms by Laser-Induced Valence Excitation of Semiconductors." Physical Review. B, Condensed Matter and Materials Physics 74(3):035337-1 - 035337-8.
Trevisanutto PE, PV Sushko, AL Shluger, KM Beck, M Henyk, AG Joly, and WP Hess. 2005. "A Mechanism of Photo-Induced Desorption of Oxygen Atoms From MgO Nano-Crystals." Surface Science 593(1-3):210-220.
Yang S, M Oostrom, MJ Truex, G Li, and L Zhong. 2016. "Injectable Silica–Permanganate Gel as a Slow-Release MnO4? Source for Groundwater Remediation: Rheological Properties and Release Dynamics." Environmental Science Processes & Impacts 18(2):256-264. doi:10.1039/C5EM00559K