Nanomaterials: Design and Simulation Book

1. Electrical Characteristics of Bulk-Molecule Interfaces (P.B. Balbuena et al.).
2. Structural Properties of Pure and Binary Nanoclusters Investigated by Computer Simulations
(G. Rossi, R. Ferrando).
3. Computer Simulation of the Solid-Liquid Phase Transition in Alkali Metal Nanoparticles
(A. Aguado, J. Lopez).
4. Multiscale Modeling of Quantum Nanodots and their Arrays (Narayan Adhikari et al.).
5. Structural Characterization of Nano- and Mesoporous Materials by Molecular Simulations
(L.F. Vega).
6. Hydrogen Adsorption in Corannulene-Based Materials (Yingchun Zhang et al.).
7. Toward Nanomaterials: Structural, Energetic and Reactivity Aspects of Single-Walled Carbon Nanotubes (T.C. Dinadayalane, J. Leszczynski).
8. Thermal Stability of Carbon Nanosystems: Molecular-Dynamics Simulations (Şakir Erkoç).
9. Modeling and Simulation of Carbon Nanotubes (A. Buldum).
10. Nano-Confined Water (A. Striolo).
11. Ab Initio Simulations of Photoinduced Molecule-Semiconductor Electron Transfer (W.R.
Duncan et al.).
12. Nano Particulated Photocatalysts for Overall Water Splitting under Visible Light (Kazuhiko Maeda, Kazunari Domen).