Biographical Information

Curriculum Vitae(PDF)

Education

Professional Experience

Honors and Awards

Research Interests

Our group applies first principles theoretical (electronic structure DFT calculations, ab initio kinetic and thermodynamic simulations) and various experimental tools (surface science, in-situ reactor studies, electron microscopy, etc.) to study chemical transformations on surfaces.
The central objective of our work is the development of predictive theories of surface chemistry related to heterogeneous catalysis, electro-catalysis, and photo-electro-catalysis. We are currently working on a number of projects that aim to address various issues in the fields of energy and environment, functional nanomaterials, and fundamental heterogeneous catalysis. For more information please visit our group page.

Selected Publications

Journal Articles

Go to Articles / Book Chapters and Other Publications

1. P. Christopher, S. Linic, ”Shape and size specific chemistry of Ag nanostructures in catalytic ethylene epoxidation”, in press ChemCatChem. DOI: 10.1002/cctc.200900231
2. N. Schweitzer, H. Xin, E. Nikolla, Suljo Linic, “Establishing relationships between the geometric structure and chemical reactivity of alloy catalysts based on their measured electronic structure," in press Topic in Catalysis.
3. E. Nikolla, J. Schwank, S. Linic, Improving the tolerance of Ni electro-catalysts to carbon-induced deactivation in direct electrochemical oxidation of hydrocarbons on SOFCs by alloying, Journal of Electro-chemical Society, 156(11), B1312-B1316, 2009.
4. D. Ingram, S. Linic, "First-Principles Analysis of the Activity of Transition and Noble Metals in the Direct Utilization of Hydrocarbon Fuels at Solid Oxide Fuel Cell Operating Conditions", Journal of Electrochemical Society, 156, B1457, 2009.
5. Laursen S, Linic S, "Strong chemical interactions between Au and off-stoichiometric defects on oxides as a possible source of chemical activity of nano-sized Au adsorbed on the oxide", Submitted to Journal of Physical Chemistry C , 113, 6689-6693, 2009.
6. Eranda Nikolla, Johannes Schwank and Suljo Linic, Measuring and Relating the Electronic Structures of Nonmodel Supported Catalytic Materials to Their Performance, Journal of the American Chemical Society, 131 (7), pp 2747-2754, 2009.
7. Eranda Nikolla, Johannes W. Schwank, and Suljo Linic, "Comparative study of the kinetics of methane steam reforming on supported Ni and Sn/Ni alloy catalysts: the impact of the formation of Ni alloy on chemistry", Journal of Catalysis, 263, 220-227, 102, 166104, 2009.
8. Johann Carlson, Felix Henke, Suljo Linc, and Mathias Scheffler:"Two-step mechanism for low temperature oxidation of vacancies in graphene", accepted Physical Review Letters, 102, 166104, 2009.
9. Phillip Christopher and Suljo Linic, "Engineering Selectivity in Heterogeneous Catalysis: Ag Nanowires as Selective Ethylene Epoxiation Catalysts", Journal of the American Chemical Society, 130, 34, 11264, 2008.
10. Eranda Nikolla, Johannes W. Schwank, and Suljo Linic, "Hydrocarbon steam reforming on Ni alloys at solid oxide fuel cell operating conditions", Catalysis Today 136(3-4): 243-248, 2008.
11. E.Nikolla, J. Schwank, S. Linic, Promotion of the long-term stability of reforming Ni catalysts by surface alloying, Journal of Catalysis, 250(1), 85-93, 2007.
12. J. Mukherjee, S. Linic, "First principles investigations of electrochemical oxidation of hydrogen over solid oxide fuel cell anodes", Journal of American Electrochemical Society, 154(9), B919-B924, 2007.
13. E.Nikolla, A. Holewinski, J. Schwank, S. Linic; "Controlling Carbon Surface Chemistry by Alloying: Carbon Tolerant Reforming Catalyst", Journal of the American Chemical Society, 128(35); 11354-113552006.
14. Laursen S, Linic S, "Oxidation catalysis by oxide-supported Au nanostructures: The role of supports and the effect of external conditions" Physical Review Letters, 97 (2), 026101, 2006.
15. S. Linic, M.A. Barteau, "On the Mechanism of Cs promotion in Ethylene Epoxidation on Ag", Journal of the American Chemical Society 126, 8086, 2004.
16. S. Linic, H. Piao, K. Adib, M. A. Barteau, "Ethylene Epoxidation on Ag: Identification of the Crucial Surface Intermediate by Experimental and Theoretical Investigation of its Electronic Structure", Angewandte Chemie International Edition, 43, 2918, 2004.
17. S. Linic, J. Jankowiak, M.A. Barteau, "Selectivity driven design of bimetallic ethylene epoxidation catalysts from first principles", Journal of Catalysis (Priority Communication), 224, 489, 2004.
18. S. Linic, M. A. Barteau, "Construction of a Reaction Coordinate and a Microkinetic Model for Ethylene Epoxidation on Silver from DFT Calculations and Surface Science Experiments", Journal of Catalysis, 214, 200, 2003.
19. S. Linic, M. A. Barteau, "Formation of a Stable Surface Oxametallacycle that Produces Ethylene Oxide", Journal of the American Chemical Society, 124, 310, 2002.
20. S. Linic, M. A. Barteau, "Control of Ethylene Epoxidation Selectivity by Surface Oxametallacycle", Journal of the American Chemical Society, 125, 4034, 2003.
21. S. Linic, J.W. Medlin, M.A. Barteau "Synthesis of Oxametallacycles from 2-iodoethanol on Ag(111)and the Structure Dependence of their Reactivity ", Langmuir, 18, 5197, 2002.
22. M. Enever, S. Linic, K. Uffalussy, J.M. Vohs and M. A. Barteau, "Synthesis, Structure and Reactions of Stable Oxametallacycles from Styrene Oxide on Ag(111)", Journal of Physical Chemistry B, 109, 2227, 2005.

Invited Book Chapters and Publications

Go to Articles / Book Chapters and Other Publications

1. Nikolla E, S. Linic, "Rational Design of Heterogeneous Catalysts: From Molecular Insights to Novel Catalysts", Springer, in press.
2. S. Linic and M. A. Barteau, "Heterogeneous Catalysis of Alkene Epoxidation," Chapter 14.6.1 in the Handbook of Heterogeneous Catalysis, 2nd edition , G. Ertl, H. Knözinger, F.Schüth, J. Weitkamp (eds.), Wiley-VCH, (2007).

Courses Taught in the Last Five Years

Undergraduate Courses
ChE 341: Fluid Mechanics

Graduate Courses
CHE 495/695: Electronic Structure Calculations in Engineering
CHE 495/696: Molecular Foundation for Heterogeneous Catalysis and Electro-catalysis
CHE 496/696 course: Ab initio Electronic Structure Calculations in Engineering
ChE 528: Chemical Reaction Engineering

Courses Developed in the Last Five Years

2008: Developed a new Che 496/696 course:
"Molecular foundation for heterogeneous catalysis and electro-catalysis.
The course addresses numerous topics including:

1. Chemical bonding on metal surfaces
2. Various experimental tools that are used to study chemical transformations on surfaces at molecular level.
3. Various theoretical tools used to study chemical interactions on surfaces.

The material was discussed through a number of examples addressing contemporary issues related to the fields of energy and environment. These examples focused on the chemistry of fuel cells, chemistry of alloys, chemistry on nano-sized catalytic materials, characterization of these materials, relationships between the electronic structure of a material and its (electro)catalytic activity, etc.

We also discussed strategies that can be utilized to employ molecular insights to identify optimal electro(catalysts) for different electro(chemical) processes. For example, we developed a molecular foundation for a number of important phenomena including Sabatier's principle, Bronsted-Evans-Polanyi (BEP) relationships, volcano curves, and many others.

2006: Developed a new Che 496/696 course:
"Ab initio Electronic Structure Calculations in Engineering". This course described various methods of solving the governing equation of quantum mechanics (Schrodinger equation) with a particular emphasis on Density Functional Theory (DFT). Furthermore it was illustrated how to utilize the electronic structure calculations to develop atomistic insights into elementary processes that govern the performance of heterogeneous catalysts, fuel cell electrodes, chemical sensors, etc. We also discussed different methodologies that allow us to use the atomistic insights obtained in the DFT calculations to draw conclusions about macroscopic observables such as catalytic activity and selectivity.