Research into the relations between the structure and physical properties of solids, their surface properties, and their ability to guide chemical reactions along specific pathways. Solid state chemistry and catalysis phenomena are investigated by modern means of electron and optical spectroscopies and electron microscopy involving microdiffraction and X-ray microanalysis. OLEDs and PLEDs.
Surface science of atomic and molecular overlayers is being pursued using high energy and angle resolution X-ray and UV photoelectron spectroscopy (HR X(U)PS), electron energy loss spectroscopy (HR EELS), low energy electron diffraction (LEED), temperature programmed desorption (TPD), and isotope methods.
Quantum chemical state-of-the-art studies are carried out of the reaction pathways and the structure of surface complexes using all-electron methods, including calculations of core-level chemical shifts for HR X(U)PS.
Teaching ranges from Introductory Chemistry to advanced graduate courses in Solid State Chemistry, Physical Inorganic Chemistry, Quantum Mechanics and Surface Spectroscopy. Intermediate level courses include Chemical Physics and Bonding and Radiation and Structure which presents spectroscopy and chemical reactivity in a unified manner in terms of the physical nature of the transitions, state and term labels, selection rules and transition probabilities. Orbital symmetry rules are expanded beyond those valid for non-degenerate systems (the Woodward-Hoffmann rules) into the realm of reactions of open shells with reactants, transition states and products in degenerate states which redirect the reaction paths to "forbidden" products such as in catalyzed reactions. Participates in the development and instruction of Physical Chemistry Laboratory including electronic spectroscopy and scanning tunneling microscopy.
Established an NSF-sponsored program in "Chemistry of Materials Synthesis and Processing", a 5-year B.S./M.S. program which bridges undergraduate and graduate education. Directed the Hewlett Grant Program for Freshmen and Sophomores in Chemistry, Materials, Physics, Chemical Engineering, and Biosciences.
Chemical demonstrations in introductory courses are designed, assembled, and published, e.g. "Diffraction of a Laser Light by a Memory Chip," K. Klier and J.A. Taylor, J. Chem. Ed. 68 , (1991) 155.
"Spectroscopic Studies of Zeolites and Mesoporous Materials," K. Klier, in Studies in Surface Science and Catalysis 157 (2005) 205-224.
"Ion Exchange, Core-Level Shifts, and Bond Strengths in Mesoporous Solid Acid SBA-15," J.L. Smith**, R.G. Herman, and K Klier*, in "Molecular Sieves: From Basic Research in Industrial Applications" Studies in Surface Science and Catalysis 158A (2005) 797-804.
"SBA-Catalyzed Synthesis of Ethers from Alcohols," S.S. Hasan**, R.G. Herman, and K. Klier*, in "Molecular Sieves: From Basic Research to Industrial Applications" Studies in Surface Science and Catalysis 158B (2005) 1343-1350.
"A Critical Assessment of Two Predictive Models of Binary Vapor-Liquid Equilibrium", M.L. Neiman*, H. Cheng*, V. Parekh, B. Peterson and K. Klier, Phys. Chem Chem. Phys. 6 (2004) 3474-3483.
"Electronic Structure and Reactivity of Defect MoS2 II. Bonding and Activation of Hydrogen on Surface Defect Sites and Clusters", J.A. Spirko, M.L. Neiman, A.M. Oelker and K. Klier*, Surface Science 572 (2004) 191-205.
"Dehydrocondensation of Alcohols to Form Ethers Over Mesoporous SBA-15 Catalyst", R.G. Herman, F.H. Khouri, K Klier*, J.B. Higgins, M.R. Galler and C.T. Terenna, Journal of Catalysis 228 (2004) 347-36.
"Sorption of Nitrogen Bases and XPS Study of Mesoporous Solid Acid SBA-15", J.L. Smith, R.G. Herman, C.R. Terenna, M.R. Galler and K. Klier*, Journal of Physical Chemistry A 108 (2004) 39-46.
J.A. Spirko, M.L. Neiman, A.M. Oelker and K. Klier* "Electronic Structure and Reactivity of Defect MoS2 I. Relative Stabilities of Clusters and Edges, and Electronic Surface States", Surface Science 542 (2003) 192-204.
K.T. Park, A.C. Miller, K. Klier, R.L. Opila, J.E. Rowe, "Heteroepitaxial Copper Phthalocyanine on Au(001) Studied by High-Resolution X-Ray Photoelectron Spectroscopy", Surface Science Letters 529 (2003) L285-L292.