Reaction pathways for pyridine adsorption on silicon (0 0 1).

Density functional theory is used to describe the reactions of chemisorption of pyridine on the silicon (0 0 1) surface. Adsorption energies of six relevant structures, and the activation energies between them are reported. We consider in detail the dative to tight-bridge transition for which conflicting results have been reported in the literature, and provide a description of the formation of inter-row chains observed in high-coverage experiments. We demonstrate that the choice of DFT functional has a considerable effect on the relative energetics and of the four DFT functionals considered, we find that the range-separated hybrid ωB97X-D functional with empirical dispersion provides the most consistent description of the experiment data.

Photonic wire biosensor microarray chip and instrumentation with application to serotyping of Escherichia coli isolates.

A complete photonic wire molecular biosensor microarray chip architecture and supporting instrumentation is described. Chip layouts with 16 and 128 independent sensors have been fabricated and tested, where each sensor can provide an independent molecular binding curve. Each sensor is 50 µm in diameter, and consists of a millimeter long silicon photonic wire waveguide folded into a spiral ring resonator. An array of 128 sensors occupies a 2 × 2 mm2 area on a 6 × 9 mm2 chip. Microfluidic sample delivery channels are fabricated monolithically on the chip. The size and layout of the sensor array is fully compatible with commercial spotting tools designed to independently functionalize fluorescence based biochips. The sensor chips are interrogated using an instrument that delivers sample fluid to the chip and is capable of acquiring up to 128 optical sensor outputs simultaneously and in real time. Coupling light from the sensor chip is accomplished through arrays of sub-wavelength surface grating couplers, and the signals are collected by a fixed two-dimensional detector array. The chip and instrument are designed so that connection of the fluid delivery system and optical alignment are automated, and can be completed in a few seconds with no active user input. This microarray system is used to demonstrate a multiplexed assay for serotyping E. coli bacteria using serospecific polyclonal antibody probe molecules.

Label-free biosensor array based on silicon-on-insulator ring resonators addressed using a WDM approach.

We report a silicon-on-insulator ring resonator biosensor array with one output port, using wavelength division multiplexing as the addressing scheme. With the use of on-chip referencing for environmental drift cancellation, simultaneous monitoring of multiplexed molecular bindings is demonstrated, with a resolution of 0.3 pg/mm(2) (40 ag of total mass) for protein concentrations over 4 orders of magnitude down to 20 pM. Reactions are measured over time periods as long as 3 h with high stability.

Silicon photonic wire biosensor array for multiplexed real-time and label-free molecular detection.

We demonstrate a silicon photonic wire waveguide biosensor array chip for the simultaneous monitoring of different molecular binding reactions. The chip is compatible with automated commercial spotting tools and contains a monolithically integrated microfluidic channel for sample delivery. Each array sensor element is a 1.8-mm-long spiral waveguide folded within a 130 microm diameter spot and is incorporated in a balanced Mach-Zehnder interferometer with a near temperature independent response. The sensors are arranged in a 400 microm spacing grid pattern and are addressed through cascaded 1x2 optical power splitters using light from a single input fiber. We demonstrate the real-time monitoring of antibody-antigen reactions using complementary and mismatched immunoglobulin G receptor-analyte pairs and bovine serum albumin. The measured level of detection for each sensor element corresponds to a surface coverage of less than 0.3 pg/mm(2).

Silicon-on-insulator guided mode resonant grating for evanescent field molecular sensing.

We present experimental and theoretical results of label-free molecular sensing using the transverse magnetic mode of a 0.22 mum thick silicon slab waveguide with a surface grating implemented in a guided mode resonance configuration. Due to the strong overlap of the evanescent field of the waveguide mode with a molecular layer attached to the surface, these sensors exhibit high sensitivity, while their fabrication and packaging requirements are modest. Experimentally, we demonstrate a resonance wavelength shift of approximately 1 nm when a monolayer of the protein streptavidin is attached to the surface, in good agreement with calculations based on rigorous coupled wave analysis. In our current optical setup this shift corresponds to an estimated limit of detection of 0.2% of a monolayer of streptavidin.

Folded cavity SOI microring sensors for high sensitivity and real time measurement of biomolecular binding.

We demonstrate folded waveguide ring resonators for biomolecular sensing. We show that extending the ring cavity length increases the resonator quality factor, and thereby enhances the sensor resolution and minimum level of detection, while at the same time relaxing the tolerance on the coupling conditions to provide stable and large resonance contrast. The folded spiral path geometry allows a 1.2 mm long ring waveguide to be enclosed in a 150 microm diameter sensor area. The spiral cavity resonator is used to monitor the streptavidin protein binding with a detection limit of approximately 3 pg/mm(2), or a total mass of approximately 5 fg. The real time measurements are used to analyze the kinetics of biotin-streptavidin binding.

Spiral-path high-sensitivity silicon photonic wire molecular sensor with temperature-independent response.

We demonstrate a new silicon photonic wire waveguide evanescent field (PWEF) sensor that exploits the strong evanescent field of the transverse magnetic mode of this high-index-contrast, submicrometer-dimension waveguide. High sensitivity is achieved by using a 2 mm long double-spiral waveguide structure that fits within a compact circular area of 150 microm diameter, facilitating compatibility with commercial spotting apparatus and the fabrication of densely spaced sensor arrays. By incorporating the PWEF sensor element into a balanced waveguide Mach-Zehnder interferometer circuit, a minimum detectable mass of approximately 10 fg of streptavidin protein is demonstrated with near temperature-independent response.

Controlling organic reactions on silicon surfaces with a scanning tunneling microscope: theoretical and experimental studies of resonance-mediated desorption.

The dynamics of tip-induced, resonance-mediated bond-breaking in complex organic adsorbates is studied theoretically and experimentally. Desorption of benzene from a Si(100) surface is found to be efficient and sensitive to voltage, the measured yield rising from below 10(-10) to ca. 10(-6) per electron within a ca. 0.8 V range at low (< 100 pA) current. A theoretical model, based upon first principles electronic structure calculations and quantum mechanical wavepacket simulations, traces these observations to multi-mode dynamics triggered by a transition into a cationic resonance. The model is generalized to provide understanding of, and suggest a means of control over, the behaviour of different classes of organic adsorbates under tunneling current.

Inducing desorption of organic molecules with a scanning tunneling microscope: theory and experiments.

A scanning-tunneling microscope has been used to induce efficient local desorption of benzene from Si(100) at low currents (<100 pA), sample biases (approximately -2.4 V) and temperatures (22 K). A theoretical model based upon first principles electronic structure calculations and quantum mechanical wave packet dynamics describes this process as occurring via transient ionization of a pi state of the adsorbed molecule. This model accounts for the unexpected efficiency and sharp threshold of the yield.