Chemical and Morphological Inhomogeneity of Aluminum Metal and Oxides from Soft X-ray Spectromicroscopy
Abstract
Oxygen and aluminum K-edge X-ray absorption spectroscopy (XAS), imaging from a scanning transmission X-ray microscope (STXM), and first-principles calculations were used to probe the composition and morphology of bulk aluminum metal, α- and γ-Al 2 O 3 , and several types of aluminum nanoparticles. The imaging results agreed with earlier transmission electron microscopy studies that showed a 2 to 5 nm thick layer of Al 2 O 3 on all the Al surfaces. Spectral interpretations were guided by examination of the calculated transition energies, which agreed well with the spectroscopic measurements. The features we observed in the experimental O and Al K-edge XAS were used to determine the chemical structure and phase of the Al 2 O 3 on the aluminum surfaces. For unprotected 18 and 100 nm Al nanoparticles, this analysis revealed an oxide layer that was similar to γ-Al 2 O 3 and comprised of both tetrahedral and octahedral Al coordination sites. For oleic acid-protected Al nanoparticles, only tetrahedral Al oxide coordination sites were observed. Our results were correlated to trends in the reactivity of the different materials, which suggests that the structures of different Al 2 O 3 layers have an important role in the accessibility ofmore »
- Authors:
-
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Chemical Sciences Division; Univ. of California, Berkeley, CA (United States). Dept. of Chemistry
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Chemical Sciences Division
- Air Force Research Lab. (AFRL), Wright-Patterson AFB, OH (United States)
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1379849
- Grant/Contract Number:
- AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Inorganic Chemistry
- Additional Journal Information:
- Journal Volume: 56; Journal Issue: 10; Journal ID: ISSN 0020-1669
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Altman, Alison B., Pemmaraju, C. Das, Alayoglu, Selim, Arnold, John, Booth, Corwin H., Braun, Augustin, Bunker, Christopher E., Herve, Alexandre, Minasian, Stefan G., Prendergast, David, Shuh, David K., and Tyliszczak, Tolek. Chemical and Morphological Inhomogeneity of Aluminum Metal and Oxides from Soft X-ray Spectromicroscopy. United States: N. p., 2017.
Web. doi:10.1021/acs.inorgchem.7b00280.
Altman, Alison B., Pemmaraju, C. Das, Alayoglu, Selim, Arnold, John, Booth, Corwin H., Braun, Augustin, Bunker, Christopher E., Herve, Alexandre, Minasian, Stefan G., Prendergast, David, Shuh, David K., & Tyliszczak, Tolek. Chemical and Morphological Inhomogeneity of Aluminum Metal and Oxides from Soft X-ray Spectromicroscopy. United States. https://doi.org/10.1021/acs.inorgchem.7b00280
Altman, Alison B., Pemmaraju, C. Das, Alayoglu, Selim, Arnold, John, Booth, Corwin H., Braun, Augustin, Bunker, Christopher E., Herve, Alexandre, Minasian, Stefan G., Prendergast, David, Shuh, David K., and Tyliszczak, Tolek. Thu .
"Chemical and Morphological Inhomogeneity of Aluminum Metal and Oxides from Soft X-ray Spectromicroscopy". United States. https://doi.org/10.1021/acs.inorgchem.7b00280. https://www.osti.gov/servlets/purl/1379849.
@article{osti_1379849,
title = {Chemical and Morphological Inhomogeneity of Aluminum Metal and Oxides from Soft X-ray Spectromicroscopy},
author = {Altman, Alison B. and Pemmaraju, C. Das and Alayoglu, Selim and Arnold, John and Booth, Corwin H. and Braun, Augustin and Bunker, Christopher E. and Herve, Alexandre and Minasian, Stefan G. and Prendergast, David and Shuh, David K. and Tyliszczak, Tolek},
abstractNote = {Oxygen and aluminum K-edge X-ray absorption spectroscopy (XAS), imaging from a scanning transmission X-ray microscope (STXM), and first-principles calculations were used to probe the composition and morphology of bulk aluminum metal, α- and γ-Al 2 O 3 , and several types of aluminum nanoparticles. The imaging results agreed with earlier transmission electron microscopy studies that showed a 2 to 5 nm thick layer of Al 2 O 3 on all the Al surfaces. Spectral interpretations were guided by examination of the calculated transition energies, which agreed well with the spectroscopic measurements. The features we observed in the experimental O and Al K-edge XAS were used to determine the chemical structure and phase of the Al 2 O 3 on the aluminum surfaces. For unprotected 18 and 100 nm Al nanoparticles, this analysis revealed an oxide layer that was similar to γ-Al 2 O 3 and comprised of both tetrahedral and octahedral Al coordination sites. For oleic acid-protected Al nanoparticles, only tetrahedral Al oxide coordination sites were observed. Our results were correlated to trends in the reactivity of the different materials, which suggests that the structures of different Al 2 O 3 layers have an important role in the accessibility of the underlying Al metal toward further oxidation. Combined, the Al K-edge XAS and STXM results provided detailed chemical information that was not obtained from powder X-ray diffraction or imaging from a transmission electron microscope.},
doi = {10.1021/acs.inorgchem.7b00280},
journal = {Inorganic Chemistry},
number = 10,
volume = 56,
place = {United States},
year = {Thu May 04 00:00:00 EDT 2017},
month = {Thu May 04 00:00:00 EDT 2017}
}
Web of Science
Works referenced in this record:
Interfacial reaction wetting in the boron nitride/molten aluminum system
journal, October 1993
- Fujii, H.; Nakae, H.; Okada, K.
- Acta Metallurgica et Materialia, Vol. 41, Issue 10
Effect of polymorphic phase transformations in Al2O3 film on oxidation kinetics of aluminum powders
journal, March 2005
- Trunov, Mikhaylo A.; Schoenitz, Mirko; Zhu, Xiaoying
- Combustion and Flame, Vol. 140, Issue 4
Probing the Magic Numbers of Aluminum–Magnesium Cluster Anions and Their Reactivity toward Oxygen
journal, March 2013
- Luo, Zhixun; Grover, Cameron J.; Reber, Arthur C.
- Journal of the American Chemical Society, Vol. 135, Issue 11
The Reaction Rates of O 2 with Closed-Shell and Open-Shell Al x – and Ga x – Clusters under Single-Collision Conditions: Experimental and Theoretical Investigations toward a Generally Valid Model for the Hindered Reactions of O 2 with Metal Atom Clusters
journal, February 2014
- Neumaier, Marco; Olzmann, Matthias; Kiran, Boggavarapu
- Journal of the American Chemical Society, Vol. 136, Issue 9
Boron Substitution in Aluminum Cluster Anions: Magic Clusters and Reactivity with Oxygen
journal, May 2014
- Smith, Jordan C.; Reber, Arthur C.; Khanna, Shiv N.
- The Journal of Physical Chemistry A, Vol. 118, Issue 37
Molecular Aluminum Additive for Burn Enhancement of Hydrocarbon Fuels
journal, October 2015
- Guerieri, Philip M.; DeCarlo, Samantha; Eichhorn, Bryan
- The Journal of Physical Chemistry A, Vol. 119, Issue 45
What determines if a ligand activates or passivates a superatom cluster?
journal, January 2016
- Luo, Zhixun; Reber, Arthur C.; Jia, Meiye
- Chemical Science, Vol. 7, Issue 5
Ab initio study of the physical properties of : Lattice dynamics, bulk properties, electronic structure, bonding, optical properties, and ELNES/XANES spectra
journal, July 2008
- Ching, W. Y.; Ouyang, Lizhi; Rulis, Paul
- Physical Review B, Vol. 78, Issue 1
Quantum-chemical study of stable, meta-stable and high-pressure alumina polymorphs and aluminum hydroxides
journal, January 2014
- Peintinger, Michael F.; Kratz, Michael J.; Bredow, Thomas
- J. Mater. Chem. A, Vol. 2, Issue 32
Structure and properties of the low-density phase ι-Al O from first principles
journal, November 2011
- Aryal, Sitaram; Rulis, Paul; Ouyang, Lizhi
- Physical Review B, Vol. 84, Issue 17
Crystalline and electronic structure of epitaxial γ - Al 2 O 3 films
journal, March 2013
- Wu, Huiyan; Lu, Dawei; Zhu, Kerong
- Physica B: Condensed Matter, Vol. 413
Interpretation of the Changing the Band Gap of Al 2 O 3 Depending on Its Crystalline Form: Connection with Different Local Symmetries
journal, August 2015
- Filatova, Elena O.; Konashuk, Aleksei S.
- The Journal of Physical Chemistry C, Vol. 119, Issue 35
Metallization-Induced Oxygen Deficiency of γ-Al 2 O 3 Layers
journal, April 2016
- Filatova, Elena O.; Konashuk, Aleksei S.; Schaefers, Franz
- The Journal of Physical Chemistry C, Vol. 120, Issue 16
Mesostructured Forms of γ-Al2O3
journal, February 2002
- Zhang, Zhaorong; Hicks, Randall W.; Pauly, Thomas R.
- Journal of the American Chemical Society, Vol. 124, Issue 8, p. 1592-1593
Nanoparticle Assembly of Mesoporous AlOOH (Boehmite)
journal, January 2003
- Hicks, Randall W.; Pinnavaia, Thomas J.
- Chemistry of Materials, Vol. 15, Issue 1, p. 78-82
γ-Alumina as a Support for Catalysts: A Review of Fundamental Aspects
journal, September 2005
- Trueba, Monica; Trasatti, Stefano P.
- European Journal of Inorganic Chemistry, Vol. 2005, Issue 17
Self-Assembly of Hierarchically Mesoporous−Macroporous Phosphated Nanocrystalline Aluminum (Oxyhydr)oxide Materials
journal, March 2006
- Yuan, Zhong-Yong; Ren, Tie-Zhen; Azioune, Ammar
- Chemistry of Materials, Vol. 18, Issue 7
Acid Catalysts in Industrial Hydrocarbon Chemistry
journal, November 2007
- Busca, Guido
- Chemical Reviews, Vol. 107, Issue 11, p. 5366-5410
Synthesis, Characterization and Catalytic Applications of Organized Mesoporous Aluminas
journal, May 2008
- Márquez‐Alvarez, Carlos; Žilková, Naděžda; Pérez‐Pariente, Joaquín
- Catalysis Reviews, Vol. 50, Issue 2
Facile Synthesis for Ordered Mesoporous γ-Aluminas with High Thermal Stability
journal, March 2008
- Yuan, Quan; Yin, An-Xiang; Luo, Chen
- Journal of the American Chemical Society, Vol. 130, Issue 11
A functional theoretical approach to the electrical double layer of a spherical colloid particle
journal, December 2001
- Wang, Zheng-Wu; Yi, Xi-Zhang; Li, Gan-Zuo
- Chemical Physics, Vol. 274, Issue 1
Characterization of Aluminum Nanopowder Compositions
journal, September 2002
- Kwok, Queenie S. M.; Fouchard, Robert C.; Turcotte, Anne-Marie
- Propellants, Explosives, Pyrotechnics, Vol. 27, Issue 4
Passivation process for superfine aluminum powders obtained by electrical explosion of wires
journal, April 2003
- Kwon, Young-Soon; Gromov, Alexander A.; Ilyin, Alexander P.
- Applied Surface Science, Vol. 211, Issue 1-4
Size-dependent nanoparticle reaction enthalpy: Oxidation of aluminum nanoparticles
journal, June 2011
- Chung, Stephen W.; Guliants, Elena A.; Bunker, Christopher E.
- Journal of Physics and Chemistry of Solids, Vol. 72, Issue 6
Oxidation and ignition of aluminum nanomaterials
journal, January 2013
- Noor, Fahad; Zhang, Hua; Korakianitis, Theodosios
- Physical Chemistry Chemical Physics, Vol. 15, Issue 46
In Situ Characterization of Aluminum-Containing Mineral−Microorganism Aqueous Suspensions Using Scanning Transmission X-ray Microscopy
journal, November 2004
- Yoon, Tae Hyun; Johnson, Stephen B.; Benzerara, Karim
- Langmuir, Vol. 20, Issue 24
Aluminum-Phosphate Binder Formation in Zeolites as Probed with X-ray Absorption Microscopy
journal, December 2014
- van der Bij, Hendrik E.; Cicmil, Dimitrije; Wang, Jian
- Journal of the American Chemical Society, Vol. 136, Issue 51
In-situ Scanning Transmission X-Ray Microscopy of Catalytic Solids and Related Nanomaterials
journal, March 2010
- de Groot, Frank M. F.; de Smit, Emiel; van Schooneveld, Matti M.
- ChemPhysChem, Vol. 11, Issue 5
Covalency in Metal–Oxygen Multiple Bonds Evaluated Using Oxygen K-edge Spectroscopy and Electronic Structure Theory
journal, January 2013
- Minasian, Stefan G.; Keith, Jason M.; Batista, Enrique R.
- Journal of the American Chemical Society, Vol. 135, Issue 5
Electronic structure and O K-edge XAS spectroscopy of U3O8
journal, June 2014
- Wen, Xiao-Dong; Löble, Matthias W.; Batista, Enrique R.
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 194
Theory and X-ray Absorption Spectroscopy for Aluminum Coordination Complexes – Al K-Edge Studies of Charge and Bonding in (BDI)Al, (BDI)AlR 2 , and (BDI)AlX 2 Complexes
journal, August 2015
- Altman, Alison B.; Pemmaraju, C. D.; Camp, Clément
- Journal of the American Chemical Society, Vol. 137, Issue 32
Evidence for 5d-σ and 5d-π covalency in lanthanide sesquioxides from oxygen K-edge X-ray absorption spectroscopy
journal, January 2016
- Altman, Alison B.; Pacold, Joseph I.; Wang, Jian
- Dalton Transactions, Vol. 45, Issue 24
Ligand K-Edge X-ray Absorption Spectroscopy as a Probe of Ligand-Metal Bonding: Charge Donation and Covalency in Copper-Chloride Systems
journal, September 1994
- Shadle, Susan E.; Hedman, Britt; Hodgson, Keith O.
- Inorganic Chemistry, Vol. 33, Issue 19
Ligand K-edge x-ray absorption spectroscopic studies: metal-ligand covalency in a series of transition metal tetrachlorides
journal, March 1995
- Shadle, Susan E.; Hedman, Britt; Hodgson, Keith O.
- Journal of the American Chemical Society, Vol. 117, Issue 8
Ligand K-Edge X-ray Absorption Spectroscopy: A Direct Probe of Ligand−Metal Covalency
journal, December 2000
- Glaser, Thorsten; Hedman, Britt; Hodgson, Keith O.
- Accounts of Chemical Research, Vol. 33, Issue 12
Metal and Ligand K-Edge XAS of Organotitanium Complexes: Metal 4p and 3d Contributions to Pre-edge Intensity and Their Contributions to Bonding
journal, January 2005
- DeBeer George, Serena; Brant, Patrick; Solomon, Edward I.
- Journal of the American Chemical Society, Vol. 127, Issue 2
Ligand K-edge X-ray absorption spectroscopy: covalency of ligand–metal bonds
journal, January 2005
- Solomon, Edward I.; Hedman, Britt; Hodgson, Keith O.
- Coordination Chemistry Reviews, Vol. 249, Issue 1-2
Unveiling the complex electronic structure of amorphous metal oxides
journal, April 2011
- Arhammar, C.; Pietzsch, A.; Bock, N.
- Proceedings of the National Academy of Sciences, Vol. 108, Issue 16
Comparison of Thermal Behavior of Regular and Ultra-fine Aluminum Powders (Alex) Made from Plasma Explosion Process
journal, June 1998
- Mench, M. M.; Kuo, K. K.; Yeh, C. L.
- Combustion Science and Technology, Vol. 135, Issue 1-6
Sonochemically Assisted Thermal Decomposition of Alane N,N -Dimethylethylamine with Titanium (IV) Isopropoxide in the Presence of Oleic Acid to Yield Air-Stable and Size-Selective Aluminum Core−Shell Nanoparticles
journal, December 2008
- Fernando, K. A. Shiral; Smith, Marcus J.; Harruff, Barbara A.
- The Journal of Physical Chemistry C, Vol. 113, Issue 2
Aluminum nanopowders produced by electrical explosion of wires and passivated by non-inert coatings: Characterisation and reactivity with air and water
journal, May 2006
- Gromov, Alexander Alexandrovich; Förter-Barth, Ulrich; Teipel, Ulrich
- Powder Technology, Vol. 164, Issue 2
Synthesis of nanoparticles with femtosecond laser pulses
journal, April 2004
- Eliezer, S.; Eliaz, N.; Grossman, E.
- Physical Review B, Vol. 69, Issue 14
Investigation of different liquid media and ablation times on pulsed laser ablation synthesis of aluminum nanoparticles
journal, October 2010
- Baladi, Arash; Sarraf Mamoory, Rasoul
- Applied Surface Science, Vol. 256, Issue 24
Inhibition of Oxide Formation on Aluminum Nanoparticles by Transition Metal Coating
journal, August 2005
- Foley, Timothy J.; Johnson, Curtis E.; Higa, Kelvin T.
- Chemistry of Materials, Vol. 17, Issue 16
Multispectroscopic (FTIR, XPS, and TOFMS−TPD) Investigation of the Core−Shell Bonding in Sonochemically Prepared Aluminum Nanoparticles Capped with Oleic Acid
journal, March 2010
- Lewis, William K.; Rosenberger, Andrew T.; Gord, Joseph R.
- The Journal of Physical Chemistry C, Vol. 114, Issue 14
Spatially and temporally resolved temperature and shock-speed measurements behind a laser-induced blast wave of energetic nanoparticles
journal, May 2013
- Roy, Sukesh; Jiang, Naibo; Stauffer, Hans U.
- Journal of Applied Physics, Vol. 113, Issue 18
Comparison of post-detonation combustion in explosives incorporating aluminum nanoparticles: Influence of the passivation layer
journal, January 2013
- Lewis, W. K.; Rumchik, C. G.; Smith, M. J.
- Journal of Applied Physics, Vol. 113, Issue 4
Surface Passivation of Bare Aluminum Nanoparticles Using Perfluoroalkyl Carboxylic Acids
journal, May 2005
- Jouet, R. Jason; Warren, Andrea D.; Rosenberg, David M.
- Chemistry of Materials, Vol. 17, Issue 11
Capping and Passivation of Aluminum Nanoparticles Using Alkyl-Substituted Epoxides
journal, July 2009
- Chung, Stephen W.; Guliants, Elena A.; Bunker, Christopher E.
- Langmuir, Vol. 25, Issue 16
Templated Synthesis of Aluminum Nanoparticles - A New Route to Stable Energetic Materials
journal, November 2009
- Li, Heting; Meziani, Mohammed J.; Lu, Fushen
- The Journal of Physical Chemistry C, Vol. 113, Issue 48
Formation and Properties of Stabilized Aluminum Nanoparticles
journal, February 2009
- Meziani, Mohammed J.; Bunker, Christopher E.; Lu, Fushen
- ACS Applied Materials & Interfaces, Vol. 1, Issue 3
Preparation and Characterization of Alane Complexes for Energy Applications
journal, February 2010
- Li, Heting; Meziani, Mohammed J.; Kitaygorodskiy, Alex
- The Journal of Physical Chemistry C, Vol. 114, Issue 7
Aluminum Nanoparticles Capped by Polymerization of Alkyl-Substituted Epoxides: Ratio-Dependent Stability and Particle Size
journal, June 2011
- Hammerstroem, Douglas W.; Burgers, Mark A.; Chung, Stephen W.
- Inorganic Chemistry, Vol. 50, Issue 11
Functionalization of Aluminum Nanoparticles Using a Combination of Aryl Diazonium Salt Chemistry and Iniferter Method
journal, December 2013
- Atmane, Yasmine Aït; Sicard, Lorette; Lamouri, Aazdine
- The Journal of Physical Chemistry C, Vol. 117, Issue 49
Metastable nanostructured metallized fluoropolymer composites for energetics
journal, January 2013
- Miller, Hannah A.; Kusel, Bradley S.; Danielson, Seth T.
- Journal of Materials Chemistry A, Vol. 1, Issue 24
Synthesis of aluminum nanoparticles capped with copolymerizable epoxides
journal, June 2013
- Thomas, Brandon J.; Bunker, Christopher E.; Guliants, Elena A.
- Journal of Nanoparticle Research, Vol. 15, Issue 6
Experimental and theoretical study of the ignition and combustion of an aerosol of encapsulated aluminum particles
journal, January 1997
- Yagodnikov, D. A.; Voronetskii, A. V.
- Combustion, Explosion, and Shock Waves, Vol. 33, Issue 1
Ignition and Combustion of Al Particles Clad by Ni
journal, March 2002
- Shafirovich, E.; Mukasyan, A.; Thiers, L.
- Combustion Science and Technology, Vol. 174, Issue 3
Passivation of the surface of aluminum nanopowders by protective coatings of the different chemical origin
journal, April 2007
- Kwon, Young-Soon; Gromov, Alexander A.; Strokova, Julia I.
- Applied Surface Science, Vol. 253, Issue 12
Interferometer-controlled scanning transmission X-ray microscopes at the Advanced Light Source
journal, February 2003
- Kilcoyne, A. L. D.; Tyliszczak, T.; Steele, W. F.
- Journal of Synchrotron Radiation, Vol. 10, Issue 2
Soft X-ray microscopy and spectroscopy at the molecular environmental science beamline at the Advanced Light Source
journal, February 2006
- Bluhm, H.; Andersson, K.; Araki, T.
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 150, Issue 2-3
Kinetic Instability of Nanocrystalline Aluminum Prepared by Chemical Synthesis; Facile Room-Temperature Grain Growth
journal, October 1998
- Haber, Joel A.; Buhro, William E.
- Journal of the American Chemical Society, Vol. 120, Issue 42
Quantitative Mapping of Structured Polymeric Systems Using Singular Value Decomposition Analysis of Soft X-ray Images
journal, May 2002
- Koprinarov, I. N.; Hitchcock, A. P.; McCrory, C. T.
- The Journal of Physical Chemistry B, Vol. 106, Issue 21
Properties of aluminium oxide thin films deposited by reactive magnetron sputtering
journal, February 1999
- Koski, Kari; Hölsä, Jorma; Juliet, Pierre
- Thin Solid Films, Vol. 339, Issue 1-2
Thin film filter performance for extreme ultraviolet and x-ray applications
journal, January 1990
- Powell, Forbes R.
- Optical Engineering, Vol. 29, Issue 6
Chemical Analysis of Aluminum as a Propellant Ingredient and Determination of Aluminum and Aluminum Nitride in Condensed Combustion Products
journal, December 2000
- Fedotova, T. D.; Glotov, O. G.; Zarko, V. E.
- Propellants, Explosives, Pyrotechnics, Vol. 25, Issue 6
The use of 1,2-epoxyhexane as a passivating agent for core–shell aluminum nanoparticles with very high active aluminum content
journal, September 2013
- Jelliss, Paul A.; Buckner, Steven W.; Chung, Stephen W.
- Solid State Sciences, Vol. 23
XAFS Study of the Al K-Edge in NaAlH4
journal, July 2007
- Baldé, Cornelis P.; Mijovilovich, Ana E.; Koningsberger, Diederik C.
- The Journal of Physical Chemistry C, Vol. 111, Issue 31
Al K Edge XANES Measurements in NaAlH 4 Doped with TiCl 3 by Ball Milling
journal, February 2007
- Léon, Aline; Balerna, Antonella; Cinque, Gianfelice
- The Journal of Physical Chemistry C, Vol. 111, Issue 9
Ab initio theory and calculations of X-ray spectra
journal, July 2009
- Rehr, John J.; Kas, Joshua J.; Prange, Micah P.
- Comptes Rendus Physique, Vol. 10, Issue 6
Parameter-free calculations of X-ray spectra with FEFF9
journal, January 2010
- Rehr, John J.; Kas, Joshua J.; Vila, Fernando D.
- Physical Chemistry Chemical Physics, Vol. 12, Issue 21
Analysis of coordination environment of aluminum species in zeolites and amorphous silica-alumina by X-ray absorption and emission spectroscopy
journal, December 2013
- Yamamoto, Takashi; Kudo, Tomoyuki; Yamamoto, Tomohiro
- Microporous and Mesoporous Materials, Vol. 182
Electronic Structure Investigation of Highly Compressed Aluminum with Edge Absorption Spectroscopy
journal, October 2011
- Benuzzi-Mounaix, A.; Dorchies, F.; Recoules, V.
- Physical Review Letters, Vol. 107, Issue 16
Real-space finite-difference calculations of XANES spectra along the aluminum Hugoniot from molecular dynamics simulations
journal, December 2010
- Peyrusse, O.
- High Energy Density Physics, Vol. 6, Issue 4
Verification of the FEFF simulations to K-edge XANES spectra of the third row elements
journal, February 2009
- Nakanishi, K.; Ohta, T.
- Journal of Physics: Condensed Matter, Vol. 21, Issue 10
Ab Initio Simulations of the -Edge Shift along the Aluminum Hugoniot
journal, October 2008
- Mazevet, S.; Zérah, G.
- Physical Review Letters, Vol. 101, Issue 15
High-power 1 kHz laser-plasma x-ray source for ultrafast x-ray absorption near-edge spectroscopy in the keV range
journal, September 2008
- Dorchies, F.; Harmand, M.; Descamps, D.
- Applied Physics Letters, Vol. 93, Issue 12
New opportunities in XAFS investigation in the 1–2 keV region
journal, November 1994
- Wong, Joe; George, G. N.; Pickering, I. J.
- Solid State Communications, Vol. 92, Issue 7
Soft X-ray absorption and EXAFS on the K edge of aluminium
journal, October 1979
- Fontaine, A.; Lagarde, P.; Raoux, D.
- Journal of Physics F: Metal Physics, Vol. 9, Issue 10
Solids and Surfaces: A Chemist's View of Bonding in Extended Structures
report, July 1988
- Hoffman, Roald
Photoelectron imaging of small aluminum clusters: quantifying s–p hybridization
journal, January 2013
- Melko, Joshua J.; Castleman, A. W.
- Physical Chemistry Chemical Physics, Vol. 15, Issue 9
3D Nanoscale Chemical Imaging of the Distribution of Aluminum Coordination Environments in Zeolites with Soft X-Ray Microscopy
journal, January 2013
- Aramburo, Luis R.; Liu, Yijin; Tyliszczak, Tolek
- ChemPhysChem, Vol. 14, Issue 3
Aluminium X-ray absorption Near Edge Structure in model compounds and Earth's surface minerals
journal, January 1998
- Ildefonse, P.; Cabaret, D.; Sainctavit, P.
- Physics and Chemistry of Minerals, Vol. 25, Issue 2
Full multiple-scattering calculations on silicates and oxides at the Al K edge
journal, May 1996
- Cabaret, Delphine; Sainctavit, Philippe; Ildefonse, Philippe
- Journal of Physics: Condensed Matter, Vol. 8, Issue 20
Al K-edge XANES spectra of aluminosilicate minerals
journal, June 1995
- Li, Dien; Bancroft, G. M.; Fleet, M. E.
- American Mineralogist, Vol. 80, Issue 5-6
Aluminum X-ray absorption near-edge spectra of some oxide minerals: Calculation versus experimental data
journal, September 1989
- McKeown, DavidA.
- Physics and Chemistry of Minerals, Vol. 16, Issue 7
Carbon K-Edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory Examination of Metal–Carbon Bonding in Metallocene Dichlorides
journal, September 2013
- Minasian, Stefan G.; Keith, Jason M.; Batista, Enrique R.
- Journal of the American Chemical Society, Vol. 135, Issue 39
X-Ray Absorption Spectra of Water from First Principles Calculations
journal, May 2006
- Prendergast, David; Galli, Giulia
- Physical Review Letters, Vol. 96, Issue 21
On the hydration and hydrolysis of carbon dioxide
journal, October 2011
- England, Alice H.; Duffin, Andrew M.; Schwartz, Craig P.
- Chemical Physics Letters, Vol. 514, Issue 4-6
Bonding and Charge Transfer in Nitrogen-Donor Uranyl Complexes: Insights from NEXAFS Spectra
journal, October 2014
- Pemmaraju, C. D.; Copping, Roy; Wang, Shuao
- Inorganic Chemistry, Vol. 53, Issue 21
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009
- Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
- Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
Soft self-consistent pseudopotentials in a generalized eigenvalue formalism
journal, April 1990
- Vanderbilt, David
- Physical Review B, Vol. 41, Issue 11, p. 7892-7895
Bloch-state-based interpolation: An efficient generalization of the Shirley approach to interpolating electronic structure
journal, December 2009
- Prendergast, David; Louie, Steven G.
- Physical Review B, Vol. 80, Issue 23
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
journal, October 2011
- Momma, Koichi; Izumi, Fujio
- Journal of Applied Crystallography, Vol. 44, Issue 6
Works referencing / citing this record:
Structural properties of ultra-small thorium and uranium dioxide nanoparticles embedded in a covalent organic framework
journal, January 2020
- Moreau, Liane M.; Herve, Alexandre; Straub, Mark D.
- Chemical Science, Vol. 11, Issue 18