|
| |
Journal Publications
| 26. |
Kai Liu, Tao Chen,
Shuyue He, Jason P. Robbins, Simon G. Podkolzin, Fei Tian. "Observation
and Identification of an Atomic Oxygen Structure on Catalytic Gold
Nanoparticles".
Angewandte Chemie 2017, 129, 1313213137.DOI:
10.1002/ange.201706647. Angewandte Chemie International Edition, 2017,
56, 1295212957.
DOI: 10.1002/anie.201706647.
Oxygen structures on gold surfaces.
Publication news story.
|
| 25. |
Tao Chen; Emila Kertalli; T. Alexander
Nijhuis; Simon G. Podkolzin. "Effects of Hydrogen and Propylene
Presence on Decomposition of Hydrogen Peroxide over Palladium Catalysts".
Journal of Catalysis, 2016,
341, 7281.
DOI: 10.1016/j.jcat.2016.06.012.
|
| 24. |
Tao Chen; Amrita Pal; Jie Gao; Yun Han; Hui
Chen; Svetlana A. Sukhishvili; Henry Du;
Simon G. Podkolzin; "Identification of Vertical and Horizontal
Configurations for BPE Adsorption on Silver Surfaces".
Journal of
Physical Chemistry C, 2015, 119
(43), 24475-24488.
DOI: 10.1021/acs.jpcc.5b07831.
Movie S-1: BPE symmetric pyridyl ring
breathing vibrational mode.
Movie S-2: BPE vibrational mode with the
stretching of the C=C double bond.
|
| 23. |
Jie Gao; Yiteng Zheng, Jih-Mirn Jehng; Yadan Tang; Israel E. Wachs;
Simon G. Podkolzin; "Identification of Molybdenum Oxide
Nanostructures on Zeolites for Natural Gas Conversion". Science, 2015,
348 (6235), 686-690.
DOI: 10.1126/science.aaa7048.
Free
access to the
full text on the Science website.
Movie S-1: Mo oxide structures and anchoring
sites.
Press release by Stevens Institute of
Technology. |
|
22. |
Jie Gao; Yiteng Zheng; Yadan Tang; Jih-Mirn Jehng; Robert Grybos; Jaroslaw Handzlik; Israel E. Wachs; Simon G. Podkolzin; "Spectroscopic
and Computational Study of Cr Oxide Structures and Their Anchoring Sites on
ZSM-5 Zeolites". ACS Catalysis, 2015, 5 (5), 30783092.
DOI: 10.1021/acscatal.5b00333. |
|
21. |
Semra Senturk-Ozer; Tao Chen; Nebahat Degirmenbası; Halil
Gevgilili; Simon G. Podkolzin, and Dilhan M. Kalyon; "Nanobursa
Mesh: Graded Electrospun Nanofiber Mesh with Metal Nanoparticles on Carbon
Nanotubes". Nanoscale, 2014, 6, 8527-8530.
DOI: 10.1039/c4nr01145g. |
|
20. |
Jie Gao; Haibo Zhao; Xiaofang Yang; Bruce E. Koel, and
Simon G. Podkolzin; "Geometric Requirements for Hydrocarbon Catalytic
Sites on Pt Surfaces". Angewandte Chemie International Edition,
2014, 53, 36413644.
DOI: 10.1002/anie.201309043. |
|
19. |
Jie Gao; Yiteng
Zheng; George B. Fitzgerald; Jason de Joannis; Yadan Tang; Israel E. Wachs,
and Simon G. Podkolzin; "Structure of Mo2Cx
and Mo4Cx Molybdenum Carbide Nanoparticles and Their
Anchoring Sites on ZSM-5 Zeolites".Journal of
Physical Chemistry C, 2014, 118 (9), 46704679,
DOI: 10.1021/jp4106053. |
|
18. |
Simon G.
Podkolzin,
George B. Fitzgerald and Bruce E. Koel; Combining Vibrational Spectroscopies
with Quantum Chemical Calculations for Molecular-Level Understanding of Reaction
Mechanisms on Catalytic Surfaces, Chapter 9,
pp. 153-176.
Book
Chapter in Applications of Molecular Modeling to Challenges in Clean
Energy, Editors: George Fitzgerald, Niranjan Govind.
American Chemical
Society, Washington, DC, 2013.ISBN13:
9780841228207,
DOI: 10.1021/bk-2013-1133.ch009. |
|
17. |
Jie Gao; Haibo Zhao; Xiaofang Yang; Bruce E. Koel, and
Simon G. Podkolzin; "Controlling Acetylene Adsorption and Reactions
on PtSn Catalytic Surfaces". ACS Catalysis, 2013, 3(6),
1149-1153.
DOI: 10.1021/cs400198f. |
|
16. |
Jooho Kim; Lindsey A. Welch; Amelia Olivas; Simon G.
Podkolzin, and Bruce E. Koel; "Adsorption and Decomposition of
Cyclohexanone (C6H10O) on Pt(111) and the (2 Χ 2) and
(√3 Χ √3)R30°-Sn/Pt(111) Surface Alloys". Langmuir, 2010, 26(21),
16401-16411.
DOI: 10.1021/la102069a. |
|
15. |
Daniel A. Hickman; Mark E. Jones; Zoran R. Jovanovic; Michael
M. Olken; Simon G. Podkolzin; Eric E. Stangland, and R. Kirk
Thompson; "Reactor Scale-up for Fluidized Bed Conversion of Ethane to
Vinyl Chloride". Industrial & Engineering Chemistry Research, 2010,
49(21), 10674-10681.
DOI: 10.1021/ie100423z. |
|
14. |
Jooho Kim; Jie Fu; Simon G. Podkolzin, and Bruce E.
Koel; "Studies of Ethylene Oxide Adsorption on Pt-Sn Alloys with TPD,
HREELS, UPS, and DFT Calculations". Journal of Physical Chemistry C,
2010, 114(40), 17238-17247.
DOI: 10.1021/jp1051485. |
|
13. |
Alwies W. A. M. Van Der Heijden; Simon G. Podkolzin;
Mark E. Jones; Johannes H. Bitter, and Bert M. Weckhuysen; "Catalytic
Hydrogen-Chlorine Exchange between Chlorinated Hydrocarbons under
Oxygen-Free Conditions". Angewandte Chemie International Edition,
2008, 47(27), 5002-5004.
DOI: 10.1002/anie.200800270. |
|
12. |
Simon G. Podkolzin; Eric E. Stangland; Mark E. Jones;
Elvira Peringer, and Johannes A. Lercher; "Methyl Chloride Production
from Methane over Lanthanum-Based Catalysts". Journal of the American
Chemical Society, 2007, 129(9), 2569-2576.
DOI: 10.1021/ja066913w. |
|
11. |
Elvira Peringer; Simon G. Podkolzin; Mark E. Jones;
Roberta Olindo, and Johannes A. Lercher; "LaCl3-Based
Catalysts for Oxidative Chlorination of CH4". Topics in
Catalysis, 2006, 38(1-3), 211-220.
DOI: 10.1007/s11244-006-0085-7. |
|
10. |
Simon G. Podkolzin; Olga V. Manoilova, and Bert M.
Weckhuysen; "Relative Activity of La2O3, LaOCl, and
LaCl3 in Reaction with CCl4 Studied with Infrared
Spectroscopy and Density Functional Theory Calculations". Journal of
Physical Chemistry B, 2005, 109(23), 11634-11642.
DOI: 10.1021/jp050680y. |
|
9. |
David G. Barton and Simon G. Podkolzin; "Kinetic
Study of a Direct Water Synthesis over Silica-Supported Gold Nanoparticles".
Journal of Physical Chemistry B, 2005, 109(6), 2262-2274.
DOI: 10.1021/jp048837u. |
|
8. |
Pieter Van Der Avert; Simon G. Podkolzin; Olga
Manoilova; Hendrik De Winne, and Bert M. Weckhuysen; "Low-Temperature
Destruction of Carbon Tetrachloride over Lanthamide Oxide Based Catalysts:
From Destructive Adsorption to a Catalytic Reaction Cycle". Chemistry
- A European Journal, 2004, 10(7), 1637-1646.
DOI: 10.1002/chem.200305442. |
|
7. |
Simon G. Podkolzin; Rafael Alcalα, and James A.
Dumesic; "Density Functional Theory Studies of Acetylene Hydrogenation on
Clean, Vinylidene- and Ethylidyne-Covered Pt(1 1 1) Surfaces".
Journal of Molecular Catalysis A: Chemical, 2004, 218(2), 217-227.
DOI: 10.1016/j.molcata.2004.04.015. |
|
6. |
Olga V. Manoilova; Simon G. Podkolzin; Balarishna
Tope; Johannes Lercher; Eric E. Stangland; Jean-Michel Goupil, and Bert M.
Weckhuysen; "Surface Acidity and Basicity of La2O3,
LaOCl, and LaCl3 Characterized by IR Spectroscopy, TPD, and DFT
Calculations". Journal of Physical Chemistry B, 2004, 108(40),
15770-15781.
DOI: 10.1021/jp040311m. |
|
5. |
Simon G. Podkolzin; Rafael Alcala; Juan J. De Pablo,
and James A. Dumesic; "Monte Carlo Simulations of Reaction Kinetics for
Ethane Hydrogenolysis over Pt". Journal of Physical Chemistry B, 2002,
106(37), 9604-9612.
DOI: 10.1021/jp020345z. |
|
4. |
S. G. Podkolzin; R. M. Watwe; Q. Yan; J. J. De Pablo,
and J. A. Dumesic; "DFT Calculations and Monte Carlo Simulations of the
Co-Adsorption of Hydrogen Atoms and Ethylidyne Species on Pt(111)".
Journal of Physical Chemistry B, 2001, 105(36), 8550-8562.
DOI: 10.1021/jp0104076. |
|
3. |
S. G. Podkolzin; J. Shen; J. J. De Pablo, and J. A.
Dumesic; "Equilibrated Adsorption of CO on Silica-Supported Pt Catalysts".
Journal of Physical Chemistry B, 2000, 104(17), 4169-4180.
DOI: 10.1021/jp993833o. |
|
2. |
J. Shen; J. Hill; R. Watwe; S. G. Podkolzin, and J. A.
Dumesic; "Ethylene Adsorption on Pt/Au/SiO2 Catalysts".
Catalysis Letters, 1999, 60(1-2), 1-9.
DOI: 10.1023/a:1019038503569. |
|
1. |
M. A. Natal-Santiago; S. G. Podkolzin; R. D. Cortright,
and J. A. Dumesic; "Microcalorimetric Studies of Interactions of Ethene,
Isobutene, and Isobutane with Silica-Supported Pd, Pt, and PtSn".
Catalysis Letters, 1997, 45(3-4), 155-163.
DOI: 10.1023/a:1019004720871. |
Patents
|
3. |
Eric E. Stangland, Daniel A. Hickman; Mark E. Jones; Simon
G. Podkolzin; Shawn D. Feist.
Process
and System for Production of Dichlorine
United States Patent Application 20110268648 A1, November 03,
2011. |
|
2. |
Robert G. Bowman, Eric E.Stangland, Mark E. Jones, Dean M.
Millar, Simon G. Podkolzin, Brien A. Stears, Richard M. Wehmeyer.
Oxidative
Mono-Halogenation of Methane
United States Patent Application 20110201841 A1, August 18,
2011. |
|
1. |
Simon G. Podkolzin, Eric E. Stangland, Albert E.
Schweizer, Mark E. Jones.
Oxidative
Halogenation of C1 Hydrocarbons to Halogenated C1
Hydrocarbons
United States Patent Application 20080275279 A1, November 6,
2008. |
Selected Recent Presentations
(More than 50 presentations, including invited lectures since
2009)
|
23. |
Jie Gao; Xiaofang Yang; Bruce E. Koel, and Simon G.
Podkolzin.
"Study
of Acetylene Adsorption and Reactivity on Pt and Pt-Sn Alloys with HREELS,
TPD and DFT Calculations"
in
23rd North American Catalysis Society Meeting,
Louisville, KY, 2013. |
|
22. |
Jie Gao; Robert Grybos; Jaroslaw Handzlik; Jih-Mirn Jehng;
Israel E. Wachs, and Simon G. Podkolzin.
"Spectroscopic
and Computational Study of Cr and Mo Oxide Nanostructures in ZSM-5 for
Methane Dehydroaromatization"
in
23rd North American Catalysis Society Meeting,
Louisville, KY, 2013. |
|
21. |
George B. Fitzgerald; Jason De Joannis; Jie Gao; Jih-Mirn
Jehng; Israel E. Wachs, and Simon G. Podkolzin.
"Structure
and Activity of Molybdenum Carbide Nanoparticles in ZSM-5 for Methane
Conversion to Aromatics"
in
23rd North American Catalysis Society Meeting,
Louisville, KY, 2013. |
|
20. |
Tao Chen; Amrita Pal; Yun Han; Svetlana Sukhishvili; Henry Du,
and Simon G. Podkolzin.
"Investigation
of BPE Adsorption on Silver Nanoparticles as a Function of Surface Oxidation
and Coverage with Raman Spectroscopy and DFT Calculations"
in
23rd North American Catalysis Society Meeting,
Louisville, KY, 2013. |
|
19. |
Amanda Simson; Simon G. Podkolzin, and Marco J.
Castaldi.
"Understanding
and Eliminating Deactivation of Rh Catalysts in Ethanol Steam Reforming"
in
23rd North American Catalysis Society Meeting,
Louisville, KY, 2013. |
|
18. |
George B. Fitzgerald; Jie Gao, and Simon G. Podkolzin.
"Structure
and Catalytic Activity of Zeolite-Supported Molybdenum Carbide Nanoparticles
for Methane Conversion"
in
7th Molecular Quantum Mechanics (MQM) Congress,
Lugano, Switzerland, 2013. |
|
17. |
Jih-Mirn Jehng; Yadan Tang; Jie Gao; Simon G. Podkolzin,
and Israel E. Wachs.
"Operando Molecular Spectroscopic Investigation of Methane
Aromatization to Benzene over Supported Metal Oxide/ZSM-5 Catalysts"
in
6th Asia-Pacific Congress on Catalysis (APCAT-6),
Taipei, Taiwan, 2013. |
|
16. |
Jie Gao; Haibo Zhao; Xiaofang Yang; Simon G. Podkolzin,
and Bruce E. Koel.
"Experimental
Spectroscopic and Computational DFT Studies of the Mechanism of Acetylene
Conversion to Benzene on Pt-Sn Alloys"
in
American Chemical Society National Meeting,
San Diego, CA, 2012. |
|
15. |
Jie Gao; Jih-Mirn Jehng; George B. Fitzgerald; Israel E.
Wachs, and Simon G. Podkolzin.
"Identification
of Catalytic Molybdenum Nanostructures on ZSM-5 for Natural Gas Processing
Based on DFT Calculation and Operando Molecular Spectroscopy"
in
American Chemical Society National Meeting,
San Diego, CA, 2012. |
|
14. |
Tao Chen; Jih-Mirn Jehng; Israel E. Wachs, and Simon G.
Podkolzin.
"Identification
of Oxygen Species Active in Ethylene Epoxidation on Silver Catalysts with
Raman Spectroscopy and DFT Calculations"
in
International Congress on Catalysis,
Munich, Germany 2012. |
|
13. |
Tao Chen, Jih-Mirn Jehng, Amrita Pal, Simon G. Podkolzin,
Israel E. Wachs.
"Identification
of catalytic active oxygen species on alumina-supported silver nanoparticles
with in situ Raman spectroscopy and DFT calculations"
in
American Chemical Society National Meeting,
Anaheim, CA., 2011. |
|
12. |
Jie Gao; Haibo Zhao; Xiaofang Yang; Simon G. Podkolzin,
and Bruce E. Koel.
"Investigation
of Benzene Formation from Acetylene on Pt-Sn Alloys with HREELS, TPD and DFT
Calculations"
in
22nd North American Catalysis Society Meeting,
Detroit, MI, 2011. |
|
11. |
Jie Gao; Jih-Mirn Jehng; George B. Fitzgerald; Israel E.
Wachs, and Simon G. Podkolzin.
"Identification of Supported Molybdenum Nanostructures for
Catalytic Methane Aromatization with Operando Molecular Spectroscopy and DFT
Calculations"
in Nanotechnology Today Conference, Kona, Hawaii, 2011. |
|
10. |
Jie Gao; Jih-Mirn Jehng; George B. Fitzgerald; Israel E.
Wachs, and Simon G. Podkolzin.
"Investigation
of Methane Aromatization over Mo/ZSM-5 Catalysts with DFT Calculations and
Operando Molecular Spectroscopy"
in
22nd North American Catalysis Society Meeting,
Detroit, MI, 2011. |
|
9. |
Jie Gao; Jih-Mirn Jehng; George B. Fitzgerald; Simon G.
Podkolzin, and Israel E. Wachs.
"Studies
of Methane Aromatization over Mo/ZSM-5 Catalysts with Operando Molecular
Spectroscopy and DFT Calculations"
in
European Catalysis Conference EuropaCat X,
Glasgow, Scotland, UK, 2011. |
|
8. |
Jie Gao; Emiel De Smit; George B. Fitzgerald; Bert M.
Weckhuysen, and Simon G. Podkolzin.
"Dynamic
Characterization of Co/TiO2 Fischer-Tropsch Catalysts with
Infrared Spectroscopy and DFT Calculations"
in
American Chemical Society National Meeting,
Anaheim, CA, 2011. |
|
7. |
Jie Gao; Emiel De Smit; George B. Fitzgerald; Adeniyi Lawal;
Bert M. Weckhuysen, and Simon G. Podkolzin.
"Dynamic
Characterization of Co/TiO2 Fischer-Tropsch Catalysts with
Infrared Spectroscopy and DFT Calculations"
in
22nd North American Catalysis Society Meeting,
Detroit, MI, 2011. |
|
6. |
Tao Chen; Amrita Pal; Jih-Mirn Jehng; Israel E. Wachs, and
Simon G. Podkolzin
"Identification
of Catalytic Active Oxygen Species on Alumina-Supported Silver Nanoparticles
with in situ Raman Spectroscopy and DFT Calculations"
in
22nd North American Catalysis Society Meeting,
Detroit, MI, 2011. |
|
5. |
Israel E. Wachs; Jih-Mirn Jehng, and Simon G. Podkolzin.
"Investigation
of Methane Aromatization over Mo/ZSM-5 Catalysts with Operando Spectroscopy
and DFT Calculations"
in
American Institute of Chemical Engineers Annual
Meeting, Salt Lake City, UT, 2010. |
|
4. |
Julie E. Molinari; Israel E. Wachs, and Simon G. Podkolzin.
"Existence
of Vanadium Umbrella Structure in Biocatalyst Systems Only"
in
American Institute of Chemical Engineers Annual
Meeting, Salt Lake City, UT, 2010. |
|
3. |
Daniel Hickman; Mark E. Jones; Zoran R. Jovanovic; Michael M.
Olken; Simon G. Podkolzin; Eric E. Stangland, and R. Kirk Thompson.
"Reactor Scale-up for Fluidized Bed Conversion of Ethane to
Vinyl Chloride"
in
21st International Symposium on Chemical Reaction
Engineering, Philadelphia, PA, 2010. |
|
2. |
Jie Gao; Emiel De Smit; Bert M. Weckhuysen, and Simon G.
Podkolzin.
"Dynamic
Characterization of Surfaces of Co/TiO2 Fischer-Tropsch Catalysts
with Infrared Spectroscopy and DFT Calculations"
in
International Novel Gas Conversion Conference,
Lyon, France, 2010. |
|
1. |
Y. D. Dai; J. M. Jehng; Jie Gao; I. E. Wachs, and Simon G.
Podkolzin.
"Investigation of Methane Aromatization over Mo/ZSM-5
Catalysts with Operando Molecular Spectroscopy and DFT Calculations"
in
International Novel Gas Conversion Conference,
Lyon, France, 2010. |
Last updated on
08 Nov 2017
   
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