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Full-Text Articles in Chemistry

Alkane Adsorption On Mgo(100): Volumetric Isotherm, Inelastic Neutron Scattering, And Computational Studies, Andrew Spencer Hicks May 2013

Alkane Adsorption On Mgo(100): Volumetric Isotherm, Inelastic Neutron Scattering, And Computational Studies, Andrew Spencer Hicks

Doctoral Dissertations

Volumetric adsorption isotherms and computational molecular dynamics (MD) simulations were performed for nonane and decane adfilms on MgO(100) nanocubes. From the isotherms, variety of thermodynamic quantities are calculated. These values, along with visual inspection of the isotherms, indicate a layer by layer trend from 2D to 3D behavior. This is attributed to the increasing importance of vertical adsorbate-adsorbate interactions as distance from the surface increases. Additionally, a 2D phase transition is observed for the first adsorbed layer as indicated by the evolution of the widths of the isotherm first derivative peaks. These experimental results are complemented by the MD calculations, …


Probing Bonding And Dynamics At Heterogeneous Adsorbate/Graphene Interfaces, Eric Charles Mattson May 2013

Probing Bonding And Dynamics At Heterogeneous Adsorbate/Graphene Interfaces, Eric Charles Mattson

Theses and Dissertations

Graphene-based materials are becoming an astoundingly promising choice for many relevant technological and environmental applications. Deriving graphene from the reduction of graphene oxide (GO) is becoming a popular and inexpensive route toward the synthesis of these materials. While the desired product from GO reduction is pristine graphene, defects and residual oxygen functional groups inherited from the parent GO render reduced graphene oxide (RGO) distinct from graphene. In this work, the structure and bonding for GO and RGO is investigated to the end of a working understanding of the composition and properties of these materials. In situ selected area electron diffraction …