PNNL-13501 - Pacific Northwest National Laboratory

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of reagents through the pores and the catalytic reactions are intimately coupled. Molecular beams have historically been used to study heterogeneous kinetic processes on nonporous materials. However, molecular beam techniques are also ideally suited to study the coupled transport/reaction processes occurring in nanoporous materials. Understanding these processes is essential for the rational design and synthesis of materials for particular applications. Results and Accomplishments The morphology of thin nanoporous magnesium oxide (MgO) films, deposited under ballistic deposition conditions, was characterized using scanning electron microscopy (SEM). The SEM micrographs of films grown at room temperature on a Si(100) substrate using a directed beam of Mg in a background pressure of O2 (~1×10 -5 torr) are shown in Figure 1. Rather compact films with small pores are shown in Figure 1a. This sharply contrasts with the films shown in Figure 1b where the individual MgO filaments are separated by large voids. These two images demonstrate the ability of our process to control film morphology and confirm the conclusions from our previous study of the porosity of amorphous solid water films (Stevenson et al. 1999). We have also shown that the growth morphology of MgO thin films is very similar on other substrates such as Si(111) and glass. For the purposes of chemical characterization, we have grown thin (< 50 nm) MgO films on an atomically clean Mo(100) substrate in our ultrahigh vacuum molecular beam scattering apparatus. The films were deposited under conditions analogous to those shown in Figure 1. The surface area and the surface adsorption energies were characterized using the adsorption of N2 monolayers. The physisorbed N2 monolayer is desorbed by linearly increasing the substrate temperature as shown in Figure 2. The desorption spectra obtained from a porous MgO film grown at a deposition angle of 85 degrees and substrate temperature of 200 K is shown with a solid line. The area under the desorption curve is a measure of surface area and can be directly compared with the curve corresponding to the N2 adsorbed on flat, highly ordered MgO(100) film (thin solid line). This comparison yields a surface area that is substantially higher than the surface areas of traditional catalytic materials. The broad 18 FY 2000 <strong>Laboratory</strong> Directed Research and Development Annual Report Figure 1. SEM images of nanoporous MgO films deposited on a Si(100) substrate at 300 K. The deposition angle of Mg beam with respect to the substrate normal is 75° and 85° for Figures 1a and 1b, respectively. Figure 2. Temperature programmed desorption of N 2 monolayer from 25 mL thick MgO films. Solid line— nanoporous film grown at deposition angle of 85° and temperature of 200 K, dotted line—same film after further annealing at 1200 K, thin solid line—dense monocrystaline film grown at 0° and 600 K.
temperature distribution of the desorption states indicates a wide range of different surface binding sites. The dotted line shows the N2 desorption from the same film after annealing. The area under the desorption curve is comparable to that of the as-grown film showing that the annealing did not cause substantial loss of the film surface area. The high temperature annealing changes the ordering and the binding properties of the surfaces. Summary and Conclusions We have demonstrated the capability to grow thin nanoporous MgO films with high surface areas. The morphology of the films can be controlled by varying the preparation parameters. Prepared films are thermally stable upon annealing. At high temperatures, changes in the ordering and binding properties of the surfaces occur. Reference Stevenson KP, GA Kimmel, Z Dohnálek, RS Smith, and BD Kay. 1999. “Controlling the morphology of amorphous solid water.” Science 283, 1505. Analytical and Physical Chemistry 19
Page 1 and 2: Laboratory Directed Research and De
Page 3 and 4: Laboratory Directed Research and De
Page 5 and 6: Computational Science and Engineeri
Page 7 and 8: Policy and Management Sciences Asse
Page 9 and 10: Introduction Department of Energy O
Page 11 and 12: 5. After reviews by the Technical a
Page 13 and 14: • The Technical Council peer revi
Page 15 and 16: methods applicable to combustion, s
Page 17 and 18: Summary Each national laboratory mu
Page 19 and 20: Study Control Number: PN0004/1411 A
Page 21 and 22: Table 1. Positive and negative ions
Page 23 and 24: m/z Arbitrary Units Figure 1. Mass
Page 25 and 26: introduce low-volatility compounds
Page 27 and 28: arrangement, but the charge is reta
Page 29 and 30: two liquid chromatographic gradient
Page 31 and 32: Integrated Microfabricated Devices
Page 33 and 34: Matrix Assisted Laser Desorption/Io
Page 35: Molecular Beam Synthesis and Charac
Page 39 and 40: expected to result in significant a
Page 41 and 42: Study Control Number: PN99069/1397
Page 45 and 46: Seuss DT and KA Prather. 1999. “M
Page 47 and 48: Analysis of Receptor-Modulated Ion
Page 49 and 50: laboratory (Lu and Xie 1997; Lu et
Page 51 and 52: Automated DNA Fingerprinting Microa
Page 53 and 54: Comparison of 4 Xanthomonas Isolate
Page 55 and 56: Approach Hematopoietic (bone marrow
Page 59 and 60: Anti-Human lgG Human lgG Protein G
Page 61 and 62: Characterization of Global Gene Reg
Page 63 and 64: PCR products for immobilization on
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Page 67 and 68: Immunoprecipitaton of tyrosinephosp
Page 69 and 70: Coupled NMR and Confocal Microscopy
Page 71 and 72: In the optical microscopy image, th
Page 73 and 74: Development and Applications of a M
Page 75 and 76: Figure 3. Hepa-1 cells undergoing a
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Fungal Conversion of Agricultural W
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Fungal Conversion of Waste Glucose/
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Summary and Conclusions We demonstr
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are shown in Figure 1(a) and 1(b),
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Study Control Number: PN99029/1357
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Anchorage-Independent Growth (% con
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selection of seedlings demonstratin
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NMR-Based Structural Genomics Micha
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Solution-State Structure and Fold-C
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Plant Root Exudates and Microbial G
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Summary and Conclusions • The gre
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Jones-Oliveira JB, JS Oliveira, HE
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• securely moves files to a targe
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Plenary invited lecture, “The Ele
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Figure 1. X3DGEN tetrahedral mesh o
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Figure 5a. OSO volume rendering of
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Development of Models of Cell-Signa
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SOS p 23 EGFR Professor Rodland at
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Oliveira JS, JB Jones-Oliveira, and
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Figure 2. Associating a dataset mar
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to 1) incorporate three-dimensional
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shown in Figure 1. Simulated result
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HostBuilder: A Tool for the Combina
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Invariant Discretization Methods fo
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Graphics, Inc., workstation. The co
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Mixed Hamiltonian Methods for Geoch
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guyanaite, and grimaldiite (see Fig
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in the Environmental Molecular Scie
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Simulation and Modeling of Electroc
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Summary and Conclusions We implemen
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Since the implementation of the gen
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asis of previous performance, perce
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Bioinformatics for High-Throughput
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Summary and Conclusions In previous
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User Cat - Supervisor (client) Anal
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The second goal was to research way
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Figure 1. A visualization technique
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and interactions. The flexibility o
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Figure 4. A filtered version of Fig
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Development of Modeling Tools for J
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Figure 2. Schematic of experimental
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Integrated Modeling and Simulation
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(a) (b) (c) (d) Figure 1. Results o
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Thurman DA. August 2000. Collaborat
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MARC Input initial m esh and result
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(Johnson 1999; Colligan 1999; Gould
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Modeling of High-Velocity Forming f
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Global divergence error 1 10 -14 0
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that users were unlikely to appreci
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Earth System Science
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the lateral extent of the plume so
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Biogeochemical Processes and Microb
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Analyses of populations of viable a
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The first task was to establish fiv
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purged for 2 minutes. The gas sampl
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developing code architecture to min
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Berkowitz, CM. June 2000. “Atmosp
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environmental monitoring, 2) portab
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corresponded to a current density o
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Enhancing Emissions Pre-Processing
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Environmental Fate and Effects of D
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nitrogen and unpredictable eutrophi
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Figure 1. Ordinary kriging of 2 m d
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precipitation of calcite occurred i
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Interrelationships Between Processe
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phenanthrene resistant fraction con
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injection of an immiscible gas phas
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still some key kinetic issues that
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Application of a Crop Model The res
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The Nature, Occurrence, and Origin
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Particle number concentration, 1/cm
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geometry optimized AlOOH and FeOOH
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allowable parameters using thermody
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TCE + 3H + + 3Fe 2+ Fe)=> acetylene
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Use of Shear-Thinning Fluids for In
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concentration of 0.5% AMX was the m
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Roberts AL, LA Totten, WA Arnold, D
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tetra-scale computing, envisioned a
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Energy Technology and Management
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Figure 2. Setup for the second expe
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phase. The algorithms will be teste
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[Pb-212]/[Pb-212] final 100 10 1 0.
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Plasma Particle Dielectric Fiber El
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(species, sub-species, and sex), sp
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Figure 3. Relative risk of bone and
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Development of a Preliminary Physio
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Development of a Virtual Respirator
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Figure 3. Use of the chest cavity a
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Examination of the Use of Diazolumi
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Indoor Air Pathways to Nuclear, Che
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Source Building Release Observed re
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To illustrate the potential impact
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Non-Invasive Biological Monitoring
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Materials Science and Technology
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Figure 1. (a) - (c) Successive magn
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Component Fabrication and Assembly
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Development of a Low-Cost Photoelec
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elaxations, indicating the adequacy
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Promising chemical durability, as m
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Study Control Number : PN98028/1274
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High Power Density Solid Oxide Fuel
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Hybrid Plasma Process for Vacuum De
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Matson DW, PM Martin, WD Bennett, J
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We showed the proof-of-principle ap
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Bandgap Energy (eV) 2.9 2.85 2.8 2.
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Ultrathin Electrolyte Test Results
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Detailed Investigations on Hydrogen
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identified low energy step structur
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Development of Novel Photo-Catalyst
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-2 -1 Energy (eV) 0 1 2 Cu2O SrTiO3
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Here, we perform adsorption and des
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exceed those in the all-metal devic
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Intensity (a.u.) 0 100 200 300 400
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integrated voltage (V) 0.10 0.08 0.
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The first step was to implement thi
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Spontaneous Formation of Cu2O Nano-
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Actinide Chemistry at the Aqueous-M
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Figure 5. Close-up atomic force mic
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to 300°C and 400°C. Unfortunately
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Summary and Conclusions Transmutati
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Advanced Calibration/Registration T
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Figure 1a. Violet filter Figure 1b.
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Autonomous Ultrasonic Probe for Pro
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containing nitrous oxide, an optica
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Chemical Detection Using Cavity Enh
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Figure 3 is a color rendered simula
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appropriate study has been performe
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Exploitation of Conventional Chemic
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Figures 3 and 4 illustrate the impa
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enefits of using a modified spread-
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Single Channel Signal 0.0025 0.0020
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Therefore, in order to extract the
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A next-generation technology is nee
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Wind Dir. Figure 2. Negative ion co
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Volumetric Imaging of Materials by
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amplitude and peak frequency change
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Figure 3. 13 C NMR spectrum of corn
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Approach Two flow loops, one that o
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Modification of Ion Exchange Resins
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Permanganate Treatment for the Deco
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minimized by medium exchange. After
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Figure 1. Thermogravimetric analysi
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Validation and Scale-Up of Monosacc
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Concentration (g/100g solution) Con
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Analysis of High-Volume, Hyper-Dime
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ecent figure of merit values. Shoul
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Probabilistic Methods Development f
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a) Traditional PCA-based process co
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Acronyms and Abbreviations 2-D two-
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PNNL-13501 - Pacific Northwest National Laboratory

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