center for catalysis and surface science · chapter 15 in adsorption of metals by geomedia ii:...

Center for Catalysis and Surface Science

•

22 Faculty•

5 Academic DepartmentsChemistry, Chemical & Biological Engineering, Materials Science,

Physics, Civil & Environmental Engineering

•

Home of the Institute for Catalysis in Energy ProcessesJoint Venture with Argonne National LaboratoryLargest DOE-Funded Research Center in Catalysis -

$1.7M/yr•

Contact InformationDirector: Peter C. StairTelephone: (847) 491-5266Email: [email protected]

Administrator: Jasmine N. TuckerTelephone: (847) 491-4354Email: [email protected]

mailto:[email protected]

mailto:[email protected]

Faculty Participants

Michael Bedzyk –

MSE

Linda Broadbelt –

CHE

Yip-Wah Chung –

MSE

Vinayak Dravid –

MSE

Donald Ellis –

PHYS

Jean-Francois Gaillard –

CEE

Franz Geiger –

CHM

Kimberly Gray –

CEE & CHE

William Halperin -

PHYS

Mark Hersam –

MSE

Joseph Hupp –

CHM

Harold Kung -

CHE

Mayfair Kung -

CHE

Laurence Marks –

MSE

Tobin Marks –

CHM & MSE

SonBinh Nguyen –

CHM

Justin Notestein -

CHE

Kenneth Poeppelmeier –

CHM

Wolfgang Sachtler –

CHM

Randall Snurr –

CHE

Peter Stair –

CHM & ANL

Eric Weitz -

CHM

CEE = Civil & Environmental EngineeringCHE = Chemical & Biological EngineeringCHM = ChemistryMSE = Materials Science & EngineeringPHYS = Physics

Argonne Affiliates•

Larry Curtiss•

Jeffrey Elam•

Christopher Marshall•

Randall Winans

martin penno

Durchstreichen

X-ray Characterization of Interface ProcessesMichael J. Bedzyk, Northwestern U.

RECENT PUBLICATIONS•“Zn2+ and Sr2+ adsorption at the TiO2 (110)-electrolyte interface: Influence of ionic strength, coverage, and anions”, Z. Zhang, , P. Fenter, L. Cheng, N.C. Sturchio, M.J. Bedzyk, M.L. Machesky, L.M. Anovitz, D.J. Wesolowski, J. Coll. Interf. Sci. 295, 50-64 (2006).

•“Imaging of atomic layer deposited (ALD) tungsten monolayers on a-TiO2(110) by X-ray standing wave Fourier inversion”, C.-Y. Kim, J.W. Elam, M.J. Pellin, D.K. Goswami, S.T. Christensen, M.C. Hersam, P.C. Stair, M.J. Bedzyk,

J. Phys. Chem. B 110,

12616 –

12620 (2006). “•Structural Characterization of 4-Bromostyrene Self-Assembled Monolayers on Si(111)”, R. Basu, J.–C. Lin, C.-Y. Kim, M.J. Schmitz, N.L. Yoder, J.A. Kellar, M.J. Bedzyk, M.C. Hersam, Langmuir 23,

1905-1911 (2007).

RESEARCH INTERESTS•

Surface, interface, thin-film and nano-

structures•

Metal / oxide supported catalysts•

Liquid/solid interface•

Biomolecular adsorption at charged surfaces•

Self-Assembled Monolayers•

Utilization of high brightness x-ray synchrotron sources as in-situ structural probes

RECENT ACCOMPLISHMENTS•

Development of 3D atomic imaging of interfacial atoms via Fourier inversion of X-ray standing wave (XSW) data

•

Direct observation of redox-induced atomic rearrangement for metal-oxide catalytic surfaces

•

XSW atomic imaging of atomic layer deposited (ALD) metal monolayer on oxide surface

•

XSW atomic imaging of oxide-supported metal clusters

•

In situ atomic imaging of adsorbed poly-ions and counter-ions at liquid-solid interface

VITAPh.D., Physics, SUNY Albany. 1982B.S., Physics and Mathematics, SUNY Brockport, 1973

Professor, Materials Science, NU , 2000-

Resident Visitor, ANL 1991-

Professor,

Physics, NU 2000-

Co-Director, NU Synchrotron Research Center, 2005-

Director, NU X-ray Diffraction Facility, 1999-

Assoc. Professor, Mat Sci., NU 1991-2000

Staff Scientist, CHESS Cornell University, 1984-1991

Kinetics Studies in Catalysis: Experiments and Modeling

Linda J. Broadbelt, Northwestern U.

RECENT PUBLICATIONSRamachandran, C.E., Du, H., Kim, Y.J., Kung, M.C., Snurr,

R.Q. and Broadbelt, L.J., “Solvent Effects in the Epoxidation Reaction of 1-Hexene with Titanium Silicalite-

1 Catalyst”, J. Catal., 2008, 253, 148-158.Albo, S.E., Snurr, R.Q. and Broadbelt, L.J., “Designing Nanostructured Membranes for Oxidative Dehydrogenation of Alkanes using Kinetic Modeling”, Ind. Eng. Chem. Res., 2008, accepted.

Sung, C.-Y., Broadbelt, L.J. and Snurr, R.Q., “A DFT Study of Adsorption of Intermediates in the NOx Reduction Pathway over BaNaY Zeolites”, Catalysis Today, 2008, 136, 64-75.

Broadbelt, L.J. and Pfaendtner, J., “Lexicography of Kinetic Modeling of Complex Systems”, AIChE J., 2005, 51(8),

2112-2121.


Multiscale modeling of complex reaction systems

•

Novel biochemical transformations

•

Modeling of biomass conversion

•

Environmental catalysis and reaction engineering

•

Polymerization and

depolymerization kinetics

•

Quantum chemical studies


Developed multiscale modeling framework for studying oxidation reactions

•

Identified novel, viable biochemical pathways to specialty and commodity chemicals

•

Consolidated disparate literature for epoxidation by Mn-porphyrins using microkinetic modeling

VITAB.S. Chemical Engineering, Ohio State, 1989Ph.D. Chemical Engineering, University of Delaware, 1994

Asst., Assoc., Full Professor, Northwestern U, 1994-Fulbright Fellow and Visiting Researcher, Imperial College

London, 2006-07

Fulbright Distinguished Scholar, 2006Fellow, AAAS, 2007Editor, Energy & Fuels, 2002-

Reaction Coordinate

Elec

tron

ic E

nerg

y

Surface Chemistry of (Ni,Fe)Ti AlloysYip-Wah Chung, Northwestern U.

RECENT PUBLICATIONS•

“Water adsorption and desorption on ultra-low friction sulfur-doped hydrogenated carbon films”, Journal of Physics Condensed Matter 18, S1721-

1726 (2006)

•

“Moisture-induced embrittlement mechanism for (Ni,Fe)Ti alloys”, Intermetallics, in press

•

“Growth responses of ultrathin CNx overcoats to process parameters”, Thin Solid Films 506/507, 207-211 (2006)

•

“Introduction to materials science and engineering”, pub. CRC Press (Taylor and Francis Group), Dec 2006


Surface chemistry of intermetallic alloys

•

Reactive deposition of thin films

•

Effects of surface chemistry on fatigue, friction and wear


Dissociation of water on intermetallic alloy surfaces as a function of temperature

•

Calculation of potential energy surfaces for atomic hydrogen diffusion

•

Sulfur-doping of carbon films to reduce adhesion and friction

•

Reactive deposition of oxide thin films

VITAPh.D. Physics, UC-Berkeley, 1977Asst., Assoc., Full Professor, Northwestern U, 1977-Director, Center for Engineering Tribology, 1987-92Department Chair, Materials Sci. & Engrg, 1992-98Program Manager, Surface Engineering and Materials

Design, National Science Fdn, 2003-05

Fellow ASM, AVS, STLE; Visiting Fellow JSPSAdvisory Professor, Fudan University

Synthesis, Patterning and Advanced Microscopy of Nanostructured Systems:

Vinayak P. Dravid, Northwestern U.


“Novel one-step synthesis of amine-stabilized aqueous colloidal gold nanoparticles”, J. Mater. Chem., Vol. 14(12), p/ 1795 (2004)

•

“Direct evidence of oxidized gold on supported gold catalysts”, J. Phys. Chem.., B 109(9), p. 3704 (2005)

•

“Performance evaluation of sensor arrays in selective detection of VOCs: A comparative study”, Sensors and Actuators B-Chemical Vol. 117 (1): p: 244 (2006)

•

“MOSFET-Embedded microcantilever for measuring biomolecular deflection”, Science, Vol. 311, pp:1592 (2006)

•

“Nanoscale imaging of buried structures via scanning near-field ultrasound holography”, Science, Vol. 310 (5745):pp.: 89-92 (2005)

RESEARCH INTERESTS

•

Advanced electron and probe microscopy

•

Synthesis and nanopatterning of multifunctional nanostructures

•

Bio-chem sensor devices and systems


Elucidated the role of Au-O species in Au-based catalysts

•

Developed novel solution-based nanopatterning approaches using SPM lithography, and soft-eBL

•

Invented a non-destructive, nanoscale SPM imaging approach for buried and embedded structures

•

Novel MOSFET-based label-

and amplification-free bio-chem sensor platform

•

Developed advanced microscopy approaches for catalyst and nanostructure characterization

VITAB.Tech. Metallurgy/Materials, IIT Bombay, India, 1984Ph.D. Materials Science & Engg, Lehigh U., 1990

Asst., Assoc., Full Professor, Northwestern U, 1990-Director, NUANCE Center

Burton Medal, MSA, 1996McCormick Faculty Excellence Award, 2006ACerS Robert H. Fulrath Award, 2008Editorial Board, J. Micro. 2001-Program Review: DOE-BESAC and BES committees

20 nm20 nm

Theoretical Modeling and Simulations of Catalytic Systems

Don Ellis, Northwestern U.


The Electronic Properties of an Oxygen Vacancy at ZrO2 -terminated (001) Surfaces of a Cubic PbZrO3, Phys. Chem. Chem. Phys. 2008 (in press).•

H2 O adsorption and dissociation on defective hematite (0001) surfaces: a DFT study,Surf. Sci. 602, 2047 (2008).•

A Comparative ab initio Study of Ca/BaTiO3 (001) and Cu/MgO(001) Overlayers,

Phys. Stat. Solidi B 245, 980 (2008).•

Initial Stages of Hydration and Zn Substitution/occupation on Hydroxyapatite (0001) Surfaces” Biomaterials

29, 257 (2008).•

Adsorption of V on a Hematite (0001) Surface and its Oxidation: Monolayer Coverage, Surf. Sci. 601, 4571 (2007).

RESEARCH INTERESTSFirst-principles theory of electronic structure of surfaces,

interfaces, and macromolecules

•

Structure-Function relationships

for composites/nanostructures

•

Multi-scale and Multi-time

simulations of extended systems

•

Reaction Mechanisms

•

Thermodynamics of interfaces

and surfaces


Analysis of growth/structure of metal overlayers on oxides•

Interaction of small moleculeswith hematite surfaces

•

Distribution and energetics ofions/molecules on hydroxyapatite

•

Metal-organic frameworksas nanoreactors

VITAB.S., M.S., PhD. Physics, M.I.T., 1961,1964, 1966Asst.Professor Physics, U. Fla., 1966-68Asst., Assoc. Prof. Physics, Northwestern U., 1968-74Assoc., Full. Prof. Physics & Chemistry, Northwestern, 1974-Sloan Fellow, 1970, Fulbright-Hayes Fellow, 1975,1984Nordita Fellow 1976, Fellow Am. Phys. Soc.Visiting Prof. Centro Brasileiro de Pesquis. Fisicas 1982-

Characterization of the Surface Properties of Environmental Particles

Jean-François Gaillard , Northwestern U.


Metal impacts on microbial biomass in the anoxic sediments of a contaminated lake, Journal of Geophysical Research -

Biogeosciences, 113, G02017 (2008). •

Arsenic Speciation in Solid Phases of Geothermal Fields, Chapter 15 in Adsorption of Metals by Geomedia II: Variables, Mechanisms, and Model Applications, Volume 7, edited by M. O Barnett and D. B. Kent, Elsevier, Amsterdam, The Netherlands, p. 417-440, (2008).

•

Imaging of colloidal deposits in granular porous media by x- ray difference micro-tomography. Geophysical Research Letters, 34, L18404, (2007).

•

A Spectroscopic and Computational Investigation of the Vanadomolybdate Local Structure in the Lyonsite Phase Mg2.5VMoO8, Inorganic Chemistry, 46, 6556-6564, (2007).


Application of X-ray Absorption Spectroscopy to the study of catalysts, chemical speciation, and surface complexation reactions.

•

Investigation of the adsorptive properties of environmental surfaces

•

Biogenic synthesis of manganese oxides

•

Biogeochemical cycles of metals and nutrients

•

Transport and reactivity of nano-particles in the environment.


Structure of biogenic manganese oxides

•

Metal Adsorption at the surface of manganese oxides

•

Aggregation of nano-particles

•

Bioavailability of Hg in presence of strong ligands

•

Adsorption of arsenate to iron oxides

•

3-D imaging of colloidal aggregates in porous media

VITAB.S. Environmental Eng., Univ. of Savoie, France (F) 1978Dr. in Water Science, Univ. Pierre et Marie Curie, Paris, (F) 1982D.Sc. in Physical Sciences, Univ. Denis Diderot, Paris, (F) 1987

Maitre de Conferences, Chemistry Univ. Denis Diderot, 1982-Asst., Assoc. Professor, Civil & Env. Eng., Northwestern U, 1995-Joint appointment: Dept. of Earth and Planetary Sciences.

IUPAC fellow, 2006 -Editorial Board, Journal of Hydrology, 1997-2007Guest Editor, Deep Sea Research -

II, 1997


In situ studies of multivalent interactions at surfaces

•

Direct tracking of heterogeneous olefin oxidation reactions

•

Acetone-TiO2

interactions

•

Acid-base behavior at interfaces

•

Metal ions and polyelectrolytes at interfaces

•

Antibiotics and biomolecules at interfaces

Tailor-made Organic and Oxide Surfaces Vibrational and Electronic Surface SpectroscopyFranz M. Geiger, Northwestern U.


"Insights into Heterogeneous Atmospheric Oxidation Chemistry: Development of a Tailor-made Synthetic Model for Studying Tropospheric Surface Chemistry"Voges et al. J. Phys. Chem. B Feature Article, 111, 1567-1578 (2007)

•

"Anion Chelation by Amido Acid-functionalized Fused Quartz/Water Interfaces Studied by Nonlinear Optics" Gibbs-Davis et al.; Submitted to JACS (2007)

•

"Interaction of the Indoor Air Pollutant Acetone with Degussa P25 TiO2 Studied by Chemical Ionization Mass Spectrometry" Schmidt et al.; Langmuir, 22, 9642-9650 (2006)

•

"DNA Single Strands Tethered to Fused Quartz/Water Interfaces Studied by Second Harmonic Generation”

Boman et al.; JACS, 127, 15368-15369, (2005)

•

"Nonlinear Optical Studies of the Agricultural Antibiotic Morantel Interacting with Silica/Water Interfaces" Konek et al.; JACS, 127, 15771-15777, (2005)

•

"Chromium (VI) Binding to Functionalized Silica/Water Interfaces

Studied by Nonlinear Optical Spectroscopy" Al-Abadleh et al.; JACS, 126. 11126-11127, (2004)


Complex interfaces

•

Tailor-made organic oxide surfaces

•

Oxidation chemistry

•

Reaction kinetics and thermodynamics

•

Reaction Mechanisms

•

Vibrational sum frequency generation (SFG)

•

Second harmonic generation (SHG)

•

Chemical ionization mass spectrometry (CIMS)

VITAB.S. Chemistry, Technical University Berlin, 1994Ph.D. Physical Chemistry, Georgetown University, 1998Postdoctoral fellow Physical Chemistry, MIT, 1999-2001

Asst., Assoc. Professor, Northwestern, 2001-, tenured 2006

Sloan Fellow, 2007-2009Dow Professor, 2006-2008Searle Teaching Fellow, 2005-2006Dreyfus Foundation Environmental Chemistry Award, 2005NSF CAREER Award, 2004-2009Editorial Board, Geochemical Transactions, 2005- Si

9

OHO

OO

O

Si9

NH

HO

O

OO

O

O

Si9

NH

HOO

O

OO

O

HO

SiO

OO

NH2

SiO

OO

HN O

SiO

OO

HN O

SiO

OO

( ) 9

O O

Si

9

NHO

OO

O


Fabricate high activity TiO2

composite film by dc-

reactive sputtering for CO2

reduction to CH4

•

Explain role of solid-solid interface in high reactivity mixed phase photocatalysts

•

Synthesize TiO2

/SWCNT composite by solvothermal method

•

Determine mechanisms of charge recombination in mixed phase photocatalysts -

random flight •

Elucidate chemical transformation mechanisms

Development of photoactive TiO2

-based Nanostructured Composites

Kimberly A. Gray, Northwestern U.


Y. Yao, G. Li, K.A. Gray, R.M. Lueptow (2008) “Single-walled Carbon Nanotube Facilitated Dispersion of Particulate TiO2 on ZrO2 Ceramic Membranes,”

Langmuir, in press.•

.F. Casadio, K.A. Gray, R. Warta, I. Fiedler (2008) “Deterioration of Zinc Potassium Chromate: Elucidating the effects of paint composition

and environmental conditions on chromatic alteration,”

•

ICOM Committee for Conservation, 15th Triennial Meeting, New Delhi, India (James and James Publishers) in press.

•

C.A. Ng, M.B. Berg, D.J. Jude, J. Janssen, P.M. Charlebois, L.A.N. Amaral, K.A. Gray. (2008) “Chemical amplification in an invaded food web: Seasonality and ontogeny in a high biomass, low diversity ecosystem.”

Environemntal Toxicology and Chemistry, in press.•

Y. Yao, G. Li, R.M. Lueptow, K.A. Gray, (2008) “Photoactive TiO2-

Carbon Nanotube Composites: Synthesis and Environmental Application,”

Environ. Sci. Techonol., in press.


Characterize and test photocatalysts for energy and environmental applications

•

Synthesis of heterogeneous photocatalysts by chemical and physical methods

•

Structure-Property Relationships

•

Reaction

Mechanisms

VITAB.S. Biology, Northwestern University, 1978Ph.D. Environmental Eng’g., Johns Hopkins, 1988Post-Doc; Lyonnaise des Eaux, Paris, France; 1987-1989

Assoc., Full Professor, Northwestern U, 1995-Director, Environmental Science, Engineering, Policy Program,

2003-Director, Institute of Sustainable Practices, Northwestern, 2007

-

presentAsst. Professor, U. Notre Dame, 1989-1995

NSF Presidential Young Investigator, 1991President, 1999, Board of Directors 1996-2000, AEESP

32

e-

e-

h+

CB

VB

hv

ht

CB

VB

ht

et

Rutile Anatase

e-h+

1

4

et

32

e-

e-

h+

CB

VB

hv

ht

CB

VB

ht

et

Rutile Anatase

e-h+

1

4

et

NMR characterization of porous materials, cements, and heterogeneous catalysts

W.P. Halperin, Northwestern U.

SELECTED PUBLICATIONS•

Two-dimensional Superconductivity, B. Chen, W.P. Halperin, P. Guptasarma, D.G. Hinks, V.F. Mitrovic, A.P. Reyes, and P. Kuhns, Nature Physics doi:10.1038/nphys540 (2007).

•

Globally Anisotropic High Porosity Silica Aerogels, J. Pllanen, K. Shirer, S. Blinstein, J.P. Davis, H. Choi, T.M. Lippman, L.B. Lurio, and W.P. Halperin, J. Non-

Crystalline Solids, accepted, cond-mat/arXiv:0711.3495 (2008).

•

Discovery of an Excited Cooper Pair State in Superfluid 3HE, J.P. Davis, J. Pollanen, H. Choi, J.A. Sauls, and W.P. Halperin, Nature Physics, doi:10.1038/nphys969 (2008).

RESEARCH INTERESTS

•

NMR properties of solids, ultra-high field NMR, molecular dynamics and diffusion, rare isotope NMR,

•

Synthesis of porous media, cements, aerogels and their characterization by SAXS and NMR

•

Synthesis and characterization of Pt nano-particles

•

Superconductors and superfluids

RECENT ACCOMPLISHMENTS

•

Stokes-Einstein breakdown in glycerol solutions

•

Synthesis of anisotropic silica aerogels

•

High resolution diffusion measurements

•

Development of very high field NMR techniques beyond H = 40 T

VITAPh.D. Physics, Cornell, 1975

Professor, Northwestern U, 1975-John Evans Professor of Physics, 2001-

Sloan Fellow, Fellow of APS, Fellow of IOP Editor, Progress in Low Temperature Physics, 1995-Editor for North America, New Journal of Physics, 2002-Chair, Ext. Adv. Com., National High Mag. Field Lab.

Scanning Probe Characterization of Catalytically Active Materials

Mark C. Hersam, Northwestern U.


M. C. Hersam, “Progress towards monodisperse single-walled carbon nanotubes,”

Nature Nanotechnology, in press, 2008.

•

N. P. Guisinger, N. L. Yoder, S. P. Elder, and M. C. Hersam, “Subnanometer imaging of adsorbate-induced electronic structure perturbation on silicon surfaces,”

J. Phys. Chem. C, 112, 2116 (2008).

•

J. W. Elam, A. V. Zinovev, M. J. Pellin, D. J. Comstock, and M. C. Hersam, “Nucleation and growth of noble metals on oxide surfaces using atomic layer deposition,”

ECS Trans., 3, 271 (2007).


Novel scanning probe characterization including ultra-

high vacuum scanning tunneling microscopy, atomic force microscopy, and tip-enhanced Raman spectroscopy

•

Nanomaterials fabricationand processing

•

Probing chemistry at thesingle molecule level

•

Structure-propertyrelationships


Characterization of atomic terrace morphology for hematite grown by chemical vapor transport

•

Correlated scanning probe andx-ray standing wave imaging oftungsten monolayers on rutile

•

Platinum nanocrystal growthon strontium titanate

•

Monodisperse carbon nanotubes

VITAB.S. Electrical Engineering, UIUC, 1996M.Phil. Physics, University of Cambridge, 1997Ph.D. Electrical Engineering, UIUC, 2000

Assistant Professor, Northwestern University, 2000-2006Full Professor, Northwestern University, 2006-

AVS Peter Mark Award, 2006Presidential Early Career Award (PECASE), 2005Alfred P. Sloan Research Fellowship, 2005ARO, ONR Young Investigator Awards, 2005

4 μm

Design and Synthesis of New Materials for Catalysis & Energy Conversion and Storage

Joseph T. Hupp, Northwestern U.


"Dynamics of Charge Transport and Recombination in ZnO Nanorod Array Dye Sensitized Solar Cells" Phys. Chem. Chem. Phys., 2006, 8 , 4655 -

4659•

"Anodic Aluminium Oxide Catalytic Membranes for Asymmetric Expoxidation" Chem. Commun., 2005, 42, 5331-5333.

•

"A Metal-Organic Framework Material That Functions as an Enantioselective Catalyst for Olefin Epoxidation" Chem. Commun., 2006, 2563-2565. Also see C&E News 2006 84, 39-41.

•

"Atomic Layer Deposition of In2

O3

Using Cyclopentadienyl Indium: A New Synthetic Route to Transparent Conducting Oxide Films" Chem. Mater., 2006, 18, 3571-3578.


Synthesis and utilization of functional metal-organic framework materials

•

Materials and mechanisms for molecular light-to-

electrical energy conversion

•

Functional supramolecular coordination chemistry


First metal-organic framework materials for oxidative catalysis

•

New transport-efficient photoelectrode architectures for dye-sensitized solar cells

•

Nanostructured membranes for enantioselective oxidation catalysis

•

Synthesis and conformal coating of transparent conductive oxides on high area platforms by atomic layer deposition methods

VITAB.S. Chemistry, Houghton College, 1979Ph.D. Chemistry, Michigan State, 1983

Asst., Assoc., Full Professor, Northwestern U, 1986-Dow Professor 1998-2000, Morrison Professor, 2000-Department Chair, 2006-2009

A. P. Sloan, Dreyfus, NSF-PYI, ARCO, ECS Wagner, Fresenius, and ECS Grahame awardee

Assoc. Editor, J. Am. Chem. Soc, 2003-

O

O

O

O

O

O

OO

O

O

O

O

[O]

[O]

[O]

[O]

Novel Catalytic Materials and Catalysis for Sustainability

Harold H Kung, Northwestern U.


Catalytic Nanomotors –

Promising leads for new catalytic applications, Appl. Catal. A: General, 309 (2006) 159.

•

Size-Selective Shell Cross-Linked Interior Functionalized Siloxane Nanocages, J. Amer. Chem. Soc. 128 (2006) 2776.

•

In-situ transient FTIR and XANES study of the evolution of surface species in CO oxidation on Au/TiO2

, J. Phys. Chem. B, 110 (2006) 8689.•

Rational Synthesis of Asymmetric BicycloSiloxane, (2005) 2164 -

2166.•

Nanotechnology: Applications and Potentials for Heterogeneous Catalysis, Catalysis Today, 97 (2004) 219.


Custom-designed catalytic materials

•

Bio-inspired selective catalytic transformation.

•

Multifunctional catalysis

•

In-situ catalyst characterization


Design and synthesis of novel catalytic structures

•

Development of synthesis strategy for control of active site environment

VITAB.S. Chemical Engineering, University of Wisconsin, Madison, 1971Ph.D. Chemistry, Northwestern University, 1974

Asst., Assoc., Full Professor, Northwestern U, 1976-

Paul H. Emmett Award , Robert L. Burwell Lecturer, Herman Pines Award, Cross-Canada Lectureship, Fellow, American Association for the Advancement of Science, Editor of Applied Catalysis A, General

O

O

OH

OH

NN

N N

Zn X

0.0

0.2

0.4

0.6

0.8

1.0

1.2

1.4

060141

154250

310375

429531

6138991036

11041179

12421359

1448After CO/O2 at RT

11.88 11.90 11.92 11.94 11.96 11.98 12.00

Nor

mal

ized

Abs

orpt

ion

keV

Time (m

in)

Understanding of Au catalysts with in-situ XAS and IR characterization

Lean NOx

reduction on non-

zeolite catalysts

Novel Catalysts Synthesis and Reactor Fabrication

Mayfair Kung

VITAB.S. Biochemistry, University of Wisconsin 1970Ph.D. Chemistry Northwestern University, 1975Research Assistant Professor Northwestern U, 91-95Research Associate Professor Northwestern U, 95-

Editorial Board, Appl. Catal. A, 2005-Scientific Committee, Gold 2006 Conference


Controlled Modification of Oxide surfaces

•

Fabrication of highly O2

permeable reactors for liquid phase oxidation.

•

Oxidation Catalysis on supported Au and Au bimetallic

•

Environmental Catalysis


Understanding low temperature CO oxidation •

Fabrication of structured siloxanemembrane using lithography.

•

Rational synthesis of siloxane polymers to be used as platforms for catalysis


Amine-Assisted Synthesis of Aluminum Oxide, in “Catalyst Preparation,”

(J. Regalbuto ed.)p.15-30 (2007).•

Activation of Au/TiO2

for CO Oxidation, J. Phys. Chem. B 109

10319-10326 (2005). •

Rational Synthesis of Asymmetric BicycloSiloxane, Chem. Comm. 2164 -

2166 (2005).•

Understanding Preparation variables in the Synthesis of Au/Al2

O3

using EXAFS and Electron Microscopy, Appl. Catal. A: General, 291, 73-84 (2005).

•

Selective Lean NOx Reduction over Metal Oxides, Topics in Catalysis, 28

105-110 (2004).

Understanding the Atomic Structure of Oxides with Promising Catalytic Properties

Laurence D Marks, Northwestern U.


Structure and Thermodynamics of the c(2x2) reconstruction of TiO2

(100). Phys Rev Letts, 2008. 100: p. 86102.•

A Surface reconstruction with a fractional hole: x R26.6oC LaAlO3

(001) , Phys. Rev. Lett. 98, 086102 (2007).•

Surface evolution of rutile TiO2

under oxidative conditions, Surf. Sci. 601, 63-67 (2007).

•

Rapid structure determination of a metal oxide from pseudo-

kinematical electron diffraction data, Ultramicroscopy 106

(2), 114-122 (2006).•

Atomic resolution transmission electron microscopy of surfaces, J. of Mat. Res. 20

(7), 1619-1627 (2005).


In-situ electron microscopy of surfaces

•

Relationships between surface structures and catalytic properties

•

DFT methods

•

Direct methods

•

Tribology, Fuel Cells, Nanoparticles, Cement, Hard Coatings


Catalytic reactions on surfaces with known atomic structures

•

Unique methods of solving surface structures

•

Theoretical calculations of surface phenomena

•

Atomic structure and evolution of oxide surfaces

•

Design & realization of annealing of surfaces in well controlled environments

VITAB.A. Chemistry, Cambridge University, UK, 1976Ph.D. Physics, Cambridge University, UK, 1980

Fellow, APS, 2002Burton Medal, Electron Microscopy Society of America, 1989 Sloan Foundation Fellowship, 1987 Scholarship, Kings College, University of Cambridge, 1976

5 5

Oxide Surface

Vita B.S. Chemistry, University of Maryland, 1966Ph.D. Chemistry, MIT, 1971Assistant Professor of Chemistry 1970-74, Associate Professor of Chemistry,

1974-78 Professor of Chemistry , 1978-presentCharles E. & Emma H. Morrison Professor of Chemistry, 1985-1999 Professor of Materials Science and Engineering, 1987-present•

Vladimir N. Ipatieff Professor of Catalytic Chemistry, 1999-present•

US National Medal of Science, 2005•

2008 Principe de Asturias Award for Technical & Scientific Research (Spain)

•

German National Academy of Sciences, four ACS awards, 70 named lectures and other awards

Interfaces Between Homogeneous and Heterogeneous CatalysisTobin Marks, Northwestern U.

Research Interests•Homogeneous catalysis with unusual metals and ligands•Single-site heterogeneous catalysis with exotic surfaces•Polymerization and polymer chemistry•Unusual catalytic heteroatom transformations•Renewable feedstock chemistry•Photovoltaic materials•Organic electronic and opto-electronic materials•Transparent conducting materials

Recent AccomplishmentsBinuclear catalysts for increasing polyolefin comonomer enchainment and main chain branchingOrganolanthanide catalysts for efficient hydroelementationSingle-site heterogeneous catalysts for selective arene hydrogenation, alkane oxidationTuning cation-anion pairing to enhance olefini polymerization activity, tacticity Semiconductors and dielectrics for printed organic CMOSInterfacial engineering for enhanced OLED and organic photovoltaic performance

Recent Publications•

Neutral Bimetallic Ni(II) Phenoxyiminato Catalysts for Highly Branched Polyethylenes and Ethylene-Norbornene Copolymerizations, Organometallics, 2008, 27, 2166-2168.•

Synthesis, Characterization, and Marked Polymerization Selectivity Characteristics of Binuclear Phenoxyiminato Organozirconium Catalysts, J. Am. Chem. Soc., 2008, 130, 12-13.•

Bimetallic Effects in the Homopolymerization of Styrene and Copolymerization of Ethylene and Styrenic Comonomers. Scope, Kinetics, and Mechanism, J. Am. Chem. Soc., 2008, 130, 2246-2261.•

Versatile Routes to In Situ Polyolefin Functionalization with Heteroatoms. Catalytic Chain Transfer, Angew. Chem. Int. Ed., 2008, 47, 2006-2025.•

Organolanthanide-Catalyzed Synthesis of Amine-Capped Polyethylenes, J. Am. Chem. Soc., J. Amer. Chem. Soc., 2007, 129, 10102-10103

Synthesis, Homo-and Heterogeneous Catalysis, Materials Science

SonBinh T. Nguyen, Northwestern U.


“Selective and Efficient Oxidation of Alcohols via Al- catalyzed Oppenauer Chemistry” J. Am. Chem. Soc. 2006, 128, 12596-12597

•

“Exfoliation of Chemically-treated Graphite Oxide; Functionalized Carbamate-functionalized Graphene Oxide Nanoplatelets” Carbon 2006, 44(15), 3342-3347.

•

“Axial Ligand Effects: Utilization of Chiral Sulfoxide Additives for the Induction of Asymmetry in (Salen)Ru(II) Olefin Cyclopropanation Catalysts”

Angew. Chem., Int. Ed. Engl., 2005, 44, 3885-3889.•

“Anodic Aluminum Oxide Catalytic Membranes for Asymmetric Epoxidation” Chem. Commun. 2005, 5331-

5333.


Catalytic Methodologies for Chemical Synthesis

•

Design of Heterogenized Homogeneous Catalysts

•

Muticomponent Catalytic Coupling

•

Functional Catalyst Supports

•

Reaction mechanisms


Al-catalyzedoxidation/reduction of C-O bonds

•

[Strained-ring + Heterocumulene] Coupling

•

Olefin metathesis and Olefin Cyclopropanation

•

Salen-based MOFs for enantioselective epoxidation

•

Novel graphene-

based supports

VITAB.S. Chemistry, Penn State University, 1990B.S. Physics, Penn State University, 1990Ph.D. Chemistry, Caltech, 1995

Asst., Assoc., Dow Professor, Northwestern, 1996-Director, Integrated Science Prog., Northwestern, 2003-McCormick Prof. of Teaching Excellence , Northwestern,

2005-Aryl Alkyl

OH

Aryl Alkyl

O

Alkyl1 Alkyl2

OH

Alkyl1 Alkyl2

O10 mol% AlMe3

>97% yield for all

toluene, rt, 0.5-1 h

1-3 equiv nitrobenzaldehyde

R

OH

R

O

H

Membrane Catalytic Reactor

NN

OO

MnCl

O O

NN

OO

MnCl

O O

NNO

OMn

Cl

OO

Molecular Engineering of Functional Surfaces and Heterogeneous Catalysts

Justin M. Notestein, Northwestern U.


“Graftable chiral ligands for surface organometallic materials”

New J. Chem. 2008, In press.

•

“The role of outer-sphere surface acidity in alkene epoxidation catalyzed by calixarene-Ti(IV) complexes,”

J. Am. Chem. Soc. 2007, 129, 15585. •

“Photoluminescence and charge transfer complexes of calixarenes grafted on TiO2

nanoparticles,”

Chem. Mater. 2007, 19, 4998.•

“Structural assessment and catalytic consequences of the oxygen coordination environment in grafted Ti-calixarenes,”

J. Am. Chem. Soc. 2007, 129, 1122.

•

“Enhancing heterogeneous catalysis through cooperative hybrid organic-

inorganic interfaces,”

Chem. Eur. J. 2006, 12, 3954.•

“Energetics of small molecule and water complexation in hydrophobic calixarene cavities,”

Langmuir 2006, 22, 4004.•

“Grafted metallocalixarenes as single-site surface organometallic catalysts,”

J. Am. Chem. Soc. 2004, 126, 16478.

VITAB.S.E.

Chem. Eng.

Princeton University 2001Ph.D. Chem. Eng.

U. California, Berkeley 2006Post-Doc Chemistry

U. Illinois, Urbana Champaign 2007

Asst. Professor

Chem. Biol. Eng.

Northwestern

2007-Member

CCSS

Northwestern

2007-

Young Investigator Award, Intnl. Catalysis Congress, 2008Camille and Henry Dreyfus New Faculty Award, 2007

Fellowship, 2006NSF Fellowship, 2001


Fundamental energy needs:•

Selective alkane oxidation•

Deep reduction•

C-X and X-X activation•

Storage in porous media

•

Catalysis and separations for fine chemicals and biologicals

•

Porous, inorganic-organic hybrids

•

‘Heterogenized’

homogeneous catalysts; surface organometallic and coordination chemistry

•

Mechanisms and structure-property relations via ‘single-site’

materials


Created coordination chemistry routes to well-

defined, supported metal oxide catalysts

•

Synthesized hydrophobic nano-cavitites for small molecule adsorption from water

•

Developed extensive understanding of Ti-SiO2

selective oxidation

•

Designed modifications ofphotocatalyst light absorption

Synthesis & Characterization of Catalytic Oxide Materials

Kenneth R. Poeppelmeier, Northwestern U.


Synthesis Dependent First-Order Raman Scattering in SrTiO3

Nanocubes at Room Temperature, Chem. Mater., Accepted, 2008.

•

Application of LaSr2

Fe2

CrO9-δ

in Solid Oxide Fuel Cell Anodes, Electrochem. & Solid State Lett., 11, B51-B53,

2008. •

A Spectroscopic and Computational Investigation of the Vanadomolybdate Local Structure in the Lyonsite Phase Mg2.5

VMoO8

, Inorg. Chem., 46, 6556-6564, 2007.•

Atomic-scale Structure of SrTiO3

(001)-c(6x2) Reconstruction: Experiments and First-principles Calculations, Phys. Rev. B, 76, 045421-1 –

045421-9, 2007.•

A Surface Reconstruction with a Fractional Hole: (5 x 5) R26.6°

LaAlO3

(001), Phys. Rev. Lett., 98, 086102/1-

086102/4, 2007.


Oxidative dehydrogenation of hydrocarbons

•

Synthesis of new catalytically active oxides

•

Surface structure & Surface chemistry of catalytic oxides

•

Single crystal growth & Structure determination


Synthesis and structure determination of adaptable crystalline frameworks

•

Determination of surface structure of perovskite oxides

•

Synthesis of perovskite oxide nanoparticles

•

Growth of large high purity Fe2

O3

single crystals

VITAB.S. Chemistry, University of Missouri (Columbia), 1971Ph.D. Inorganic Chemistry, Iowa State University, 1978

Assoc., Full Professor, Northwestern U., 1984-presentExxon Res. and Eng. Company, Science Lab., 1978-1984

Dow Professor of Chemistry, 1992Associate Editor, Inorganic Chemistry, 1993-presentChairman, ACS Symposium on Homogeneous and Heterogeneous Catalysis, 2004

Molecular Modeling of Nanoporous, Single-

Site CatalystsRandall Q. Snurr, Northwestern U.


S.A. McMillan, L.J. Broadbelt, R.Q. Snurr, “Theoretical modeling of zeolite catalysis: nitrogen oxide catalysis over metal-exchanged zeolites,”

in Environmental Catalysis, edited by V.H. Grassian, Taylor & Francis, Boca Raton,2005; pp. 287-306.

•

C.E. Ramachandran, Q. Zhao, A. Zikanova, M. Kocirik, L.J. Broadbelt, R.Q. Snurr, “Is 1-hexene epoxidation in TS-1 diffusion limited in different solvents?”

Catal. Comm. 7, 936-940 (2006).

•

S.E. Albo, L.J. Broadbelt, R.Q. Snurr, “Multiscale modeling of mass transport and residence times in nanostructured membranes,”

AIChE J. 52, 3679-3687 (2006).


Development of new catalytic materials with precisely controlled active sites and surrounding environments

•

Effects of physisorption and diffusion on catalysis in nanoporous materials

•

Oxidation catalysis

•

Atomistic simulation; quantum chemical calculations; multiscale modeling

VITAB.S.E. Chemical Engineering, U. of Pennsylvania, 1988Ph.D. Chemical Engineering, U.C. Berkeley, 1994Post-doc, Physics, University of Leipzig, 1994-95

Asst., Assoc., Full Professor, Northwestern U, 1995-

A. von Humboldt Research Fellowship, 1994-95NSF CAREER Award, 1998Editorial Board, Catalysis Communications, 2002-06

-80

-60

-40

-20

0

20

40

60

80

Reaction Coordinate

Elec

tron

ic E

nerg

y (k

J/m

ol)

TripletQuintet

I II

IIIIV

TS1

TS2


Molecular simulation validation of BET theory for microporous metal-organic frameworks (MOFs)

•

Modeling of combined reaction/ diffusion in novel nanostructured membrane reactors

•

Studies of epoxidation catalysis in single-site zeolite and molecular square catalysts

•

DFT studies of deNOx catalysis

Development of Synthesis & Characterization Methods in Heterogeneous Catalysis

Peter C. Stair, Northwestern U.


Raman Spectroscopic Study of V/θ-Al2

O3

Catalysts: Quantification of surface vanadia speciation and their structure reduced by hydrogen, J. Phys. Chem. 111, 16460-

69 (2007).•

The application of UV Raman spectroscopy for the characterization of catalysts and catalytic reactions, Adv. Catal. 51, 75-98 (2007).

•

Spatially Controlled Atomic Layer Deposition in Porous Materials, Appl. Phys. Lett. 91, 243105/1-3 (2007)..

•

UV Raman spectroscopic studies of V/θ-Al2

O3

catalysts in butane dehydrogenation, J. Catal. 237, 220-229 (2006).

•

Novel, uniform nanostructured catalytic membranes, Top. Catal. 39, 181-186 (2006).


In-situ and operando resonance Raman spectroscopy of catalysts and catalytic reactions

•

Synthesis of heterogeneous catalysts by atomic layer deposition

•

Structure-Property Relationships

•

Reaction

Mechanisms


Detection & quantification of supported catalytic species

•

Reaction intermediates in coke formation

•

Classification of 1-D and 2-D coke topologies

•

Nanostructured membranes for selective oxidation catalysis

•

Novel catalyst compositions and structure by atomic layer deposition

VITAB.S. Chemistry, Stanford University, 1972Ph.D. Physical Chemistry, UC-Berkeley, 1977

Asst., Assoc., Full Professor, Northwestern U, 1977-Director, Center for Catalysis and Surface Science, 1997-Senior Scientist, Argonne Nat’l Lab, 2003-

A. v. Humboldt Senior Scientist Award, 2002Editorial Board, Catalysis Letters, 2004-Panel Chair, DOE Workshop on Catalysis, 2007

Inte

nsity

Color (wavelength)

Molecular Signatures

Reactants

ProductsProducts

Catalyst

Laser

Reactants Products

Elucidation of Reaction Mechanisms for Heterogeneous Catalytic Processes

Eric Weitz, Northwestern U.


Enthalpy and Entropy of the Indoor Air Pollutant Acetone Interacting with Degussa P25 TiO2

Determined by Chemical Ionization Mass Spectrometry, submitted

•

Low Temperature NOx

Reduction with Ethanol over Ag/Y: A comparison with Ag/-Al2

O3

and BaNa/Y, Journal of Catalysis 246, 413-427 (2007)

•

An Acid Catalyzed Step in the Catalytic Reduction of NOx

to N2

, Catalysis Letters 112, 129-132 (2006) •

Interaction of the Indoor Air Pollutant Acetone with Degussa P25 TiO2

Studied by Chemical Ionization Mass Spectrometry, Langmuir 22, 9642-9650 (2006)

•

Study of the Mechanism for NOx

Reduction with Ethanol on -Alumina Supported Silver., Journal of Catalysis 238

110-

110 (2006)

RESEARCH INTERESTS

•

deNOx

chemistry.

•

Delineation of deNOx

reaction mechanisms.

•

Determination of the mechanisms for photocatalytic degradation of indoor air pollutants.

•

Photocatalytic reduction of CO2.


Delineation of multi-step catalytic mechanism for NOx

reduction with oxygenate additives over zeolites.

•

Demonstrated NOx

reduction with ethanol over Ag/Y and Ag/-Al2

O3

and determined the mechanism.

•

Demonstrated N2 yields approaching 100% in low temperature (<200 0C) NOx

reduction with added reductants.

•

Demonstrated the NO can act as an efficient reductant

in NOx

reduction to mitigate catalyst deactivation.

VITA

B.S. Massachusetts Institute of Technology, 1968Ph.D. Physical Chemistry, Columbia Univ., 1972Postdoctoral Research Associate, U.C., Berkeley (with

George Pimentel)Asst., Assoc., Full Professor, Northwestern U, 1974-

present

Associate Director, Institute for Catalysis in Energy Processes (ICEP)

Fellow, American Physical Society

center for catalysis and surface science · chapter 15 in adsorption of metals by geomedia ii:...

Documents