Experimental and Computational Probing of the Transition States to Surface Reactions
Andrew J. Gellman, Carnegie Mellon University, 5000 Forbes Ave., Pittsburgh, PA 15213, David S. Sholl, Chemical Engineering, Carnegie Mellon University, 5000 Forbes Ave., Pittsburgh, PA 15213 and Xin Li, Chemistry, Carnegie Mellon University, 5000 Forbes Ave., Pittsburgh, PA 15213 |
First-Principles Studies of Amino Acid Adsorption on Chiral Mineral Surfaces
Aravind R. Asthagiri, Chemical Engineering, University of Florida, 427 ChE Bldg, PO Box 116005, Gainesville, FL 32611 and Robert M. Hazen, Geophysical Laboratory, Carnegie Institution of Washington, 5251 Broad Branch Rd. NW, Washington, DC 20015 |
Accelerated Molecular Dynamics Simulation of Thermal Desorption
Kelly E. McLaughlin, Pennsylvania State University, 174 Fenske Lab, University Park, PA 16802 and Kristen A. Fichthorn, Dept. of Chemical Engineering, The Pennsylvania State University, 164 Fenske Laboratory, University Park, PA 16802 |
Surface Smoothening Mechanism of Plasma-Deposited Amorphous Silicon Thin Films
Mayur S. Valipa1, Tamas Bakos1, Eray S. Aydil2 and Dimitrios Maroudas1, (1)University of Massachusetts, Department of Chemical Engineering, Amherst, MA 01003, (2)University of Minnesota, Chemical Engineering and Materials Science Department, Minneapolis, MN 55455 |
A Simple Chemical View of Relaxations at (110) Surfaces of Rutile Structure-Type Oxides
Thomas A. Muscenti1, Gerald V. Gibbs2 and David F. Cox1, (1)Chemical Engineering, Virginia Polytechnic Institute and State University, Blacksburg, VA 24061, (2)Geosciences, Material Science and Engineering, and Mathematics, Virginia Polytechnic Institute and State University, Blacksburg, VA 24061 |
Surface Structure and Reactivity of Clean and Hydrated Α-Fe2O3
Cynthia S. Lo1, Anne M. Chaka1 and Thomas P. Trainor2, (1)Chemical Science and Technology Laboratory, National Institute of Standards and Technology, 100 Bureau Drive Stop 8380, Gaithersburg, MD 20899-8380, (2)Chemistry and Biochemistry, University of Alaska Fairbanks, P.O. Box 756160, Fairbanks, AK 99775-6160 |