Advanced Materials & Manufacturing – Page 612

Theoretical Investigations of Intermolecular Interactions Involving Pi-Systems and Their Utility in the Design of Novel Functional Nanomaterials

Tarakeshwar P., Kim K.S., Pohang University of Science and Technology, KR

The design and development of novel functional nano-systems has received great attention because of their potential applications in electronics, physics, chemistry, biology, and medicine. An effective design strategy requires a thorough understanding of various interaction [...]

Excited Electronic States and Production Optimizations for Promising Nano-Agents

Slanina Z., Kobayashi K., Nagase S., Academia Sinica, TW

Very high temperatures of fullerene and nanotube syntheses do allow for a significant population of excited electronic states and thus for non-negligible electronic partition functions. This unique feature can have some interesting consequences for computed [...]

Coarse-Grained Molecular Dynamics for Nano-Design

Rudd R.E., Lawrence Livermore National Laboratory, US

The design of nanoscale mechanical systems poses a novel set of challenges for modeling and simulation. The need for an accurate model of the nanoscale components is clear. This can be of the form of [...]

Physical Chemistry of Nanomaterials

Electrical Potential Distribution in Nanopores

Gillespie A.R., Paul R., Paddison S.J., Motorola, US

The study of the transport of ionic species through nanopores is a subject of wide interest covering several diverse fields such as biophysics, electrochemistry and polymer science. While, during recent decades, considerable advances have been [...]

Modeling Water Uptake of Proton Exchange Membranes

Berg P., Promislow K., Simon Fraser University, CA

Water content in Nafion membranes of proton exchange membranes (PEM) is crucial to its functionality. The adsorption of liquid water occurs on a time scale of seconds, while the desorption (drying) time scale is on [...]

Carbon Supported Pt Nanomaterials for Fuel Cell Applications Using Combustion Chemical Vapor Condensation

Breitkopf R., Hwang J., Maniei F., Hunt A., MicroCoating Technologies, US

PEM Fuel cells have enormous promise as the power source for next generation vehicles. Several missing pieces exist with state of the art technology that prevent immediate implementation due to cost constraints. One large cost [...]

A Versatile Nanofabrication Technology for Polymer / Inorganic Composites for Fuel Cell and Pulse Power Applications

Lee S., Breitkopf R., Hwang J., Faguy P., Hunt A., MicroCoating Technologies, Inc., US

An innovative atomizer, capable of producing sub-micron size droplets, in conjunction with Combustion Chemical Vapor Deposition (CCVD), a flame based technique have demonstrated the capability to produce nanoscale hybrid materials with morphological, compositional and internal [...]

Proton Polarization on Pt Surface with Water Molecules

Yamamoto T., Ohnishi S., Watari N., NEC Fundamental Resreach Labs., JP

We present theoretical studies of atomic and electronic structures calculations of hydrogen at Pt surfaces with H2O molecules by focusing on the mechanism of proton polarization in the fuel cells system by the density functional [...]

Influence of the Microstructure of the Catalyst Layer on the Performance of the PEMFC Cathode

Fontes E., Schumacher J., Vasileiades N., Parhammar O., Schmitz A., COMSOL Inc., US

This paper presents a model of a unit cell of a PEMFC for applications in portable electronic devices. The model introduces the transport resistance exerted by the electrolyte confined in the active layer using a [...]