The chemistry and mineralogy of variable charge soils
EMSL Project ID
3490
Abstract
I received an invitation to write a review paper (chapter) for the Journal:
Advances in Agronomy, which is a well established and highly regarded serial
publication (ranked #1 in Agriculture). In order to increase the quality and
impact of this chapter, I will need to run some XRD, SEM, TEM, and
Mossbauer Analyses at EMSL for at least 6 soil samples. The invitation letter
from the Editor is attached.
Advances in Agronomy, which is a well established and highly regarded serial
publication (ranked #1 in Agriculture). In order to increase the quality and
impact of this chapter, I will need to run some XRD, SEM, TEM, and
Mossbauer Analyses at EMSL for at least 6 soil samples. The invitation letter
from the Editor is attached.
Project Details
Project type
Exploratory Research
Start Date
2003-06-01
End Date
2004-06-04
Status
Closed
Released Data Link
Team
Principal Investigator
Related Publications
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Ammal SC, and A Heyden. 2011. "Nature of Ptn/TiO2(110) Interface under Water-Gas Shift Reaction Conditions: A Constrained ab Initio Thermodynamics Study." Journal of Physical Chemistry C 115(39):19246-19259. doi:10.1021/jp2058723
Averkiev BB, Y Zhao, and DG Truhlar. 2010. "Binding Energy of d¹º Transition Metals to Alkenes By Wave Function Theory and Density Functional Theory." Journal of Molecular Catalysis. A, Chemical. 324(1-2):80-88. doi:10.1016/j.molcata.2010.03.016
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Davidson S ,Sun J ,Hong Y ,Karim A M,Datye A K,Wang Y 2014. "The Effect Of ZnO Addition On Co/C Catalyst For Vapor And Aqueous Phase Reforming Of Ethanol" Catalysis Today 233():38-45. 10.1016/j.cattod.2013.12.044
Halevi B, EJ Peterson, A Roy, A DelaRiva, E Jeroro, F Gao, wang, JM Vohs, B Kiefer, EL Kunkes, M Havecker , M Behrens, R Schlogl, and AK Datye. 2012. "Catalytic Reactivity of Face Centered Cubic PdZna for the Steam Reforming of Methanol." Journal of Catalysis 291:44-54. doi:10.1016/j.jcat.2012.04.002
Lebarbier VMC, Y Wang, AK Datye, B Halevi, JM Vohs, E Jeroro, B Kiefer, EL Kunkes, R Schlogl, E Peterson, A DelaRiva, M Havecker , and M Behrens. 2010. "Aerosol-Derived Bimetallic Alloy Powders: Bridging the Gap." PNNL-SA-76995, Pacific Northwest National Laboratory, Richland, WA.
Line narrowing in 1H MAS spectrum ofmesoporous silica by removing adsorbed H2O using N2
Marenich A, W Ding, CJ Cramer, and DG Truhlar. 2012. "Resolution of a Challenge for Solvation Modeling: Calculation of Dicarboxylic Acid Dissociation Constants Using Mixed Discrete?Continuum Solvation Models." The Journal of Physical Chemistry Letters 3(11):1437-1442. doi:10.1021/jz300416r
Mercer, R.G., S.J. Callister, M.S. Lipton, L. Pasa-Tolic, H. Strnad, V. Paces, J.T. Beatty, and A.S.
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Papajak E, and DG Truhlar. 2011. "Convergent Partially Augmented Basis Sets for Post-Hartree-Fock Calculations of Molecular Properties and Reaction Barrier Heights." Journal of Chemical Theory and Computation 7(1):10-18. doi:10.1021/ct1005533
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Peterson EJ, B Halevi, B Kiefer, MN Spilde, AK Datye, J Peterson, LL Daemen, A Llobet, and H Nakotte. 2011. "Aerosol synthesis and Rietveld analysis of tetragonal (??) PdZn." Journal of Alloys and Compounds 509(5):1463-1470. doi:10.1016/j.jallcom.2010.09.149
Sun J ,Karim A M,Mei D ,Engelhard M H,Bao X ,Wang Y 2015. "New Insights into Reaction Mechanisms of Ethanol Steam Reforming on Co-ZrO2" Applied Catalysis. B, Environmental 162():141-148. 10.1016/j.apcatb.2014.06.043
Suthirakun S, SC Ammal, G Xiao, F Chen, K Huang, HC zur Loye, and A Heyden. 2012. "Obtaining Mixed Ionic/Electronic Conductivity in Perovskite Oxides in a Reducing Environment: A Computational Prediction for Doped SrTiO3." Solid State Ionics 228:37-45. doi:10.1016/j.ssi.2012.09.013
The effect of PdZn particle size on reverse-water?gas-shift reaction, Applied Catalysis A: General 379 3?6 2010, Lebarbier, V. Dagle, R. Datye, A.K., Wang, Y.
Tishchenko O, R Li, and DG Truhlar. 2010. "Metal-Organic Charge Transfer Can Produce Biradical States and is Mediated by Conical Intersections." Proceedings of the National Academy of Sciences of the United States of America 107(45):19139-19145. doi:10.1073/pnas.1010287107
Valiev M, and SV Lymar. 2011. "Structural and Mechanistic Analysis through Electronic Spectra: Aqueous Hyponitrite Radical (N2O2-) and Nitrosyl Hyponitrite Anion (N3O3-)." Journal of Physical Chemistry A 115(43):12004-12010.
Wang D, M Valiev, and BC Garrett. 2011. "CH2Cl2 and OH? Reaction in Aqueous Solution: A Combined Quantum Mechanical and Molecular Mechanics Study." Journal of Physical Chemistry A 115(8):1380-1384. doi:10.1021/jp109287r
Wang T, H Yin, D Wang, and M Valiev. 2012. "Hybrid Quantum Mechanical and Molecular Mechanics Study of the SN2 Reaction of CCl4 + OH- in Aqueous Solution: The Potential of Mean Force, Reaction Energetics, and Rate Constants." Journal of Physical Chemistry A 116(9):2371-2376. doi:10.1021/jp3005986
Wen H, GL Hou, SM Kathmann, M Valiev, and XB Wang. 2013. "Communication: Solute Anisotropy Effects in Hydrated Anion and Neutral Clusters." Journal of Chemical Physics 138(3):Article No. 031101. doi:10.1063/1.4776766
Yin H, D Wang, and M Valiev. 2011. "Hybrid quantum mechanical/molecular mechanics study of the S(N)2 reaction of CH3Cl+OH? in water." Journal of Physical Chemistry A 115(43):12047-12052.
Zheng J, P Seal, and DG Truhlar. 2012. "Role of Conformational Structures and Torsional Anharmonicity in Controlling Chemical Reaction Rates and Relative Yields: Butanal + HO2 Reactions." Chemical Science. doi:10.1039/c2sc21090h