A5064925278- MXene and MAX Phase Materials
- Advanced Chemical Physics Studies
- 2D Materials and Applications
- Molecular Spectroscopy and Structure
- Photochemistry and Electron Transfer Studies
- Spectroscopy and Laser Applications
- Porphyrin and Phthalocyanine Chemistry
- Advanced Memory and Neural Computing
- Graphene research and applications
- Spectroscopy and Quantum Chemical Studies
- Particle accelerators and beam dynamics
- Chemical Thermodynamics and Molecular Structure
- Plasma Diagnostics and Applications
- Molecular spectroscopy and chirality
- Particle physics theoretical and experimental studies
- High-Energy Particle Collisions Research
- Quantum Chromodynamics and Particle Interactions
- Molecular Junctions and Nanostructures
- Organic and Molecular Conductors Research
- Pulsed Power Technology Applications
- Thermodynamic properties of mixtures
- Advanced Photocatalysis Techniques
- Nonlinear Optical Materials Research
- Inorganic and Organometallic Chemistry
- Spectroscopy Techniques in Biomedical and Chemical Research
Fayetteville State University
2017-2024
Texas A&M University
2000-2004
Lawrence Livermore National Laboratory
1998-2003
University of Tartu
2003
Technische Universität Braunschweig
2003
Lawrence Livermore National Security
2003
University of Missouri–Kansas City
2001
Two-dimensional materials based on transition metal carbides have been intensively studied due to their unique properties including metallic conductivity, hydrophilicity and structural diversity shown a great potential in several applications, for example, energy storage, sensing optoelectronics. While MXenes magnetic elements show interesting properties, not much is known about the of titanium-based MXenes. Here, we measured Ti3C2Tx synthesized by different chemical etching conditions such...
p-Cresol is a simple molecular model for the para phenolic side chain of tyrosine. Previously, Siamwiza and co-workers [(1975) Biochemistry 14, 4870−4876] investigated p-cresol solutions to identify Raman spectroscopic signatures different hydrogen-bonding states tyrosine phenoxyl group in proteins. They found that moiety exhibits an intense doublet spectral interval 820−860 cm-1 intensity ratio (I2/I1, where I2 I1 are peak intensities higher- lower-wavenumber members doublet) diagnostic...
The high-temperature vapor-phase Raman spectrum of 1,3-cyclohexadiene shows nine transitions resulting from the ν19 (A2) twisting mode (labeled according to C2v symmetry). Ab initio calculations predict barriers in 1197−1593 cm-1 range. Far-infrared absorption bands confirm five these transitions. A one-dimensional potential energy function with a barrier 1132 does an excellent job fitting data. Other and infrared combination also verify assignments provide information on vibrational...
The novel material, one-dimensional lepidocrocite (1DL) titanate, is attracting industrial and scientific interest because of its applicability to a wide range practical applications ease synthesis scale up production. In this study, we investigated the CO
We report the intercalation of polyacrylonitrile nanoparticles in Ti3C2Tx MXene layers through simple sonication. The use polyacrylonitrile, which was synthesized via radical polymerization, offered dual benefits: (1) It increased interlayer spacing MXene, thereby exposing more surface area and enhancing ion transport channels during charge discharge cycles, (2) Integrating with enables creation a composite conductive properties, following percolation principle. X-ray diffraction analysis...
The far-infrared spectrum resulting from the ring-puckering vibration of 2,3-dihydrofuran (23DHF) has been re-examined, and 11 single-quantum jump transitions nine triple-quantum were observed. High-level ab initio calculations used to predict structure which was then calculate kinetic energy (reciprocal reduced mass) as a function puckering coordinate. experimental data along with expression produced potential V(x) = 1.019 × 106x4 − 1.946 104x2 barrier planarity 93 cm-1 minima at dihedral...
The laser-induced fluorescence spectra and dispersed of jet-cooled 1,2-dihydronaphthalene have been analyzed to investigate the ring inversion process in both S0 S1(π,π*) excited states. Ultraviolet absorption, infrared, Raman were also recorded complement analyses. Ab initio calculations predict involve four out-of-plane motions, linear combinations these made model process. data show barrier ground state be 1363±100 cm−1 (the triple-zeta ab value is 1524 cm−1). experimental indicate that...
The infrared and Raman spectra of bicyclo[3.3.0]oct-1,5-ene in the vapor liquid phases have been recorded analyzed. Ab initio calculations, including those with triple-ζ (cc-pvtz) basis set, carried out to predict energy differences between five different structural forms. Both ab calculations show that cis C2v conformation is lowest form. trans C2h structure predicted lie only 65 229 cm-1 higher energy, depending on whether effects ring flapping are considered, but spectroscopic evidence...
The S 1 (n,π*) ← 0 cavity ringdown spectrum of 2-cyclohexen-1-one vapor has been recorded in the vicinity band, which is at 26 089.1 cm 1 . Observation hot bands permitted determination several low-frequency fundamentals and overtones ground electronic state. lowest two excited quantum states for inversion vibration (v 39 ) were found to be 99.0 197.0 Together with previously published far-IR spectra vapor-phase Raman spectra, fundamental frequencies v , 38 37 have determined. From observed...
Metal carbides, nitrides, or carbonitrides of early transition metals, better known as MXenes, possess notable structural, electrical, and magnetic properties. Analyzing electronic structures by calculating structural stability, band structure, density states, Bader charge transfer, work functions utilizing first principle calculations, we revealed that titanium nitride Mxenes, namely Ti$_2$N Ti$_3$N$_2$, have excess anionic electrons in their pseudo-atomic structure inside the crystal...
Two-dimensional materials based on transition metal carbides have been intensively studied due to their unique properties including metallic conductivity, hydrophilicity, and structural diversity shown great potential in several applications. While MXenes magnetic elements show interesting properties, not much is known about the of titanium-based MXenes. Here, we measured Ti<sub>3</sub>C<sub>2</sub>T<sub>x </sub>MXenes synthesized by different chemical...
The results of ab initio calculations have been utilized to produce plausible two-dimensional energy surfaces the form V = a(x14 + x24) b(x12 x22) cx12x22 dx1x2 for ring-puckering vibrations bicyclo[3.3.0]oct-1,5-ene, with each coordinate representing puckering motion one ring. Polynomial expressions kinetic (reciprocal reduced mass) associated motions rings were developed and utilized. These used together potential calculate quantum states spectroscopic transitions motions. effect varying...
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The Heavy Ion Fusion Group at Lawrence Livermore National Laboratory has for several years been developing the world's first circular ion induction accelerator designed to transport space charge dominated beams. Currently, machine extends 90 degrees, or 10 half-lattice periods (HLP) with cores acceleration placed on every other HLP. Full current acceptable emittance growth without achieved. Recently, a time stability measurement revealed 2% energy change due source heating effect. Correcting...
Nanoscale one-dimensional (1D) oxides have exhibited enhanced physical and chemical properties for a wide range of applications, such as lithium-ion-battery electrodes, gas sensors, filters, surface coatings, biomedical applications.The compound Nd2O3 has been used to improve electrical materials photocatalytic applications.In order study the at nanoscale, nanoparticles synthesized by number different routes [1].Recently, nanorods hydrothermal method [2].In this work, we report long...