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Full-Text Articles in Engineering

First-Principles Study Of The Electric Field Effect On The Water-Adsorbed Rutile Titanium Dioxide Surface, Abraham L. Hmiel Jan 2014

First-Principles Study Of The Electric Field Effect On The Water-Adsorbed Rutile Titanium Dioxide Surface, Abraham L. Hmiel

Legacy Theses & Dissertations (2009 - 2024)

TiO2 is a semiconducting material that has been used extensively in many industrial applications, and recently has become a candidate for photocatalytic water splitting, fuel cell anode support materials, sensors, and other novel nanodevices. The interface of TiO2 with water, historically well-studied but still poorly understood, presents a ubiquitous environmental challenge towards the ultimate practical usefulness of these technologies. Ground-state density functional theory (DFT) calculations studying the characteristics of molecular adsorption on model surfaces have been studied for decades, showing constant improvement in the description of the energetics and electronic structure at interfaces. These simulations are invaluable in the …


Fluctuations In Transient Response Of Adsorption-Based Plasmonic Sensors, Zeljko D. Cupic Dec 2013

Fluctuations In Transient Response Of Adsorption-Based Plasmonic Sensors, Zeljko D. Cupic

Zeljko D Cupic

The basic parameters of a sensor element defining its ultimate performance are sensitivity and intrinsic noise. In plasmonic gas sensors both are determined by refractive index changes due to adsorption and desorption (a–d) of target analyte particles to the sensor active area. In this paper we present a general model that can be simultaneously used to determine sensitivity and intrinsic noise of a plasmonic sensor both during transients and in steady-state and is valid for multi-analyte environments. The model utilizes the conventional probabilistic approach. It is derived without any assumptions about the stochastic nature of the fundamental (a–d) process. It …