Density-functional study of Cu atoms, monolayers, and coadsorbates on polar ZnO surfaces

The structure and electronic properties of single Cu atoms, copper monolayers and thin copper films on the polar oxygen and zinc terminated surfaces of ZnO are studied using periodic density-functional calculations. We find that the binding energy of Cu atoms sensitively depends on how charge neutrality of the polar surfaces is achieved. Bonding is very strong if the surfaces are stabilized by an electronic mechanism which leads to partially filled surface bands. As soon as the surface bands are filled (either by partial Cu coverage, by coadsorbates, or by the formation of defects), the binding energy decreases significantly. In this case, values very similar to those found for nonpolar surfaces and for copper on finite ZnO clusters are obtained. Possible implications of these observations concerning the growth mode of copper on polar ZnO surfaces and their importance in catalysis are discussed.Comment: 6 pages with 2 postscript figures embedded. Uses REVTEX and epsf macro

Patterns of Life: Integrating Mathematics with Science, Culture, and Art

We offered undergraduate students an interdisciplinary course Patterns of Life that develops mathematical reasoning strategies to solve complex problems. In its most essential form, mathematics is the study of patterns; and mathematical (patterned) reasoning is the ability to think with a plan and a purpose. Students personally experience and use patterns of reasoning in diverse disciplines, and then work in groups to form a valid strategy for solving a selected problem. Patterns of Life is designed as guided, on-site, active-learning experiences, in cooperation with local scientific, cultural and fine arts communities. Course goals for students include: (1) to increase mathematical understanding, find mathematical thinking more relevant to their own programs and build mathematical perspectives and strategies to become more confident problem-solvers, and (2) to develop a life-long ability to reason more effectively on a wider variety of problems, including those that may be unfamiliar or seem to have no answer. The following four activities were an integral part of Patterns of Life: (1) biologists at the Golden Gate Raptor Observatory engaged students in the study of the raptor population crossing the Golden Gate section of the Western Flyway; (2) National Park Service scientists, students and instructors studied ecological, environmental and cultural patterns in Yosemite National Park; (3) students studied structure and vitality of traditional human cultures through their use of mathematical patterns: model and map-making, navigation, time, recording devices, networks, linear programming, probability, geometric growth rates, binary codes, fair division and appointment, measurement and systems of influence and power; and (4) with members of the San Francisco Bay Area Fine Arts Community, students discovered patterns in artistic expression, including symmetry, balance, scale, repetition of motif, and geometry in visual arts and architecture

Study of fuel cells using storable rocket propellants Final report, 18 Aug. 1965 - 23 Jun. 1969

Operating fuel cells on gaseous nitrogen tetroxide and aerozine 5

Inelastic neutron scattering studies of methyl chloride synthesis over alumina

Not only is alumina the most widely used catalyst support material in the world, it is also an important catalyst in its own right. One major chemical process that uses alumina in this respect is the industrial production of methyl chloride. This is a large scale process (650 000 metric tons in 2010 in the United States), and a key feedstock in the production of silicones that are widely used as household sealants. In this Account, we show how, in partnership with conventional spectroscopic and reaction testing methods, inelastic neutron scattering (INS) spectroscopy can provide additional insight into the active sites present on the catalyst, as well as the intermediates present on the catalyst surface.<p></p> INS spectroscopy is a form of vibrational spectroscopy, where the spectral features are dominated by modes involving hydrogen. Because of this, most materials including alumina are largely transparent to neutrons. Advantageously, in this technique, the entire “mid-infrared”, 0–4000 cm<sup>–1</sup>, range is accessible; there is no cut-off at 1400 cm<sup>–1</sup> as in infrared spectroscopy. It is also straightforward to distinguish fundamental modes from overtones and combinations. <p></p> A key parameter in the catalyst’s activity is the surface acidity. In infrared spectroscopy of adsorbed pyridine, the shifts in the ring stretching modes are dependent on the strength of the acid site. However, there is a very limited spectral range available. We discuss how we can observe the low energy ring deformation modes of adsorbed pyridine by INS spectroscopy. These modes can undergo shifts that are as large as those seen with infrared inspectroscopy, potentially enabling finer discrimination between acid sites. <p></p> Surface hydroxyls play a key role in alumina catalysis, but in infrared spectroscopy, the presence of electrical anharmonicity complicates the interpretation of the O–H stretch region. In addition, the deformations lie below the infrared cut-off. Both of these limitations are irrelevant to INS spectroscopy, and all the modes are readily observable. When we add HCl to the catalyst surface, the acid causes changes in the spectra. We can then deduce both that the surface chlorination leads to enhanced Lewis acidity and that the hydroxyl group must be threefold coordinated. <p></p> When we react η-alumina with methanol, the catalyst forms a chemisorbed methoxy species. Infrared spectroscopy clearly shows its presence but also indicates the possible coexistence of a second species. Because of INS spectroscopy’s ability to discriminate between fundamental modes and combinations, we were able to unambiguously show that there is a single intermediate present on the surface of the active catalyst. This work represents a clear example where an understanding of the chemistry at the molecular level can help rationalize improvements in a large scale industrial process with both financial and environmental benefits. <p></p&gt

Tentacle probe sandwich assay in porous polymer monolith improves specificity, sensitivity and kinetics

Nucleic acid sandwich assays improve low-density array analysis through the addition of a capture probe and a specific label, increasing specificity and sensitivity. Here, we employ photo-initiated porous polymer monolith (PPM) as a high-surface area substrate for sandwich assay analysis. PPMs are shown to enhance extraction efficiency by 20-fold from 2 μl of sample. We further compare the performance of labeled linear probes, quantum dot labeled probes, molecular beacons (MBs) and tentacle probes (TPs). Each probe technology was compared and contrasted with traditional hybridization methods using labeled sample. All probes demonstrated similar sensitivity and greater specificity than traditional hybridization techniques. MBs and TPs were able to bypass a wash step due to their ‘on–off’ signaling mechanism. TPs demonstrated reaction kinetics 37.6 times faster than MBs, resulting in the fastest assay time of 5 min. Our data further indicate TPs had the most sensitive detection limit (<1 nM) as well as the highest specificity (>1 × 104 improvement) among all tested probes in these experiments. By matching the enhanced extraction efficiencies of PPM with the selectivity of TPs, we have created a format for improved sandwich assays

Project proposal on funding for parks

This study will look at state and county level parks and see what and if there are alternative funding solutions for these parks. We will interview officials and administrators of two parks, while using surveys to gather information about visitors of the parks. The interviews that we will use for the park officials and administrators will be semi-structured. When it comes to analyzing the data we receive from the interviews, we will use three techniques: member checking, qualitative coding, and developing themes. The second method we plan on using is surveys of park visitors. We want to conduct exit surveys with visitors of two different parks, one local and one state. Approximately 200 surveys will be collected from those visiting Table Rock State Park and Nettles Park in Clemson. This will give us a good summary of what people would like and not like. From these results we would be able to make inferences about the population of park visitors, and would we be able to advise parks which funding alternatives would be successful and unsuccessful