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Full-Text Articles in Physical Sciences and Mathematics

Nanopatterned Silk Fibroin Films With High Transparency And High Haze For Optical Applications, Corey Malinowski, Fengjie He, Yihong Zhao, Ivan Chang, David W. Hatchett, Shengjie Zhai, Hui Zhao Dec 2019

Nanopatterned Silk Fibroin Films With High Transparency And High Haze For Optical Applications, Corey Malinowski, Fengjie He, Yihong Zhao, Ivan Chang, David W. Hatchett, Shengjie Zhai, Hui Zhao

Chemistry and Biochemistry Faculty Research

Simultaneous high transparency and high haze are necessary for high-efficiency optical, photonic, and optoelectronic applications. However, a typical highly transparent film lacks high optical haze or vice versa. Here, we report a silk fibroin-based optical film that exhibits both ultrahigh optical transparency... (See article for full abstract).


Semitransparent Sb2s3 Thin Film Solar Cells By Ultrasonic Spray Pyrolysis For Use In Solar Windows, Jako S. Eensalu, Atanas Katerski, Erki Kärber, Lothar Weinhardt, Monika Blum, Clemens Heske, Wanli Yang, Ilona Oja Acik, Malle Krunks Dec 2019

Semitransparent Sb2s3 Thin Film Solar Cells By Ultrasonic Spray Pyrolysis For Use In Solar Windows, Jako S. Eensalu, Atanas Katerski, Erki Kärber, Lothar Weinhardt, Monika Blum, Clemens Heske, Wanli Yang, Ilona Oja Acik, Malle Krunks

Chemistry and Biochemistry Faculty Research

The integration of photovoltaic (PV) solar energy in zero-energy buildings requires durable and efficient solar windows composed of lightweight and semitransparent thin film solar cells. Inorganic materials with a high optical absorption coefficient, such as Sb2S3 (>105 cm−1 at 450 nm), offer semitransparency, appreciable efficiency, and long-term durability at low cost. Oxide-free throughout the Sb2S3 layer thickness, as confirmed by combined studies of energy dispersive X-ray spectroscopy and synchrotron soft X-ray emission spectroscopy, semitransparent Sb2S3 thin films can be rapidly grown in air by the area-scalable ultrasonic spray pyrolysis method. Integrated into a ITO/TiO2/Sb2S3/P3HT/Au solar cell, a power conversion …


Synthesis, Optical, And Thermal Properties Of 2,4,6-Tris(4-Substituted Phenyl)Pyrylium Tosylates And Triflimides, Pradip Kumar Bhowmik, Christina Inbok Lee, Jung Jae Koh, Haesook Han, Ahamed Jubair, Vladimir Kartazaev, Swapan Kumar Gayen Nov 2019

Synthesis, Optical, And Thermal Properties Of 2,4,6-Tris(4-Substituted Phenyl)Pyrylium Tosylates And Triflimides, Pradip Kumar Bhowmik, Christina Inbok Lee, Jung Jae Koh, Haesook Han, Ahamed Jubair, Vladimir Kartazaev, Swapan Kumar Gayen

Chemistry and Biochemistry Faculty Research

A group of five 2,4,6-tris(4-substituted phenyl)pyrylium tosylates were synthesized in one-pot reaction from para-substituted benzaldehyde and para-substituted acetophenones using tosic acid as a condensing agent. The tosylate salts were converted to the corresponding triflimide salts by metathesis reactions. Chemical structures, as well as optical spectroscopic and thermal properties of these salts were studied using pertinent experimental techniques. Trimethyl- and trihalo-substituted pyrylium salts emitted strong blue light with peaks in the 456 nm–479 nm range and trimethoxy-pyrylium salts emitted intense green light with maxima around 526 nm in acetonitrile solution. Quantum yields of the solutions were rather low, but the salts …


Bis(Tetra­Phenyl­Arsonium) Hexa­Fluorido­Technetate(Iv) Dihydrate: Preparation, Structure And Spectroscopic Analysis, Samundeeswari Mariappan Balasekaran, Frederic Poineau Nov 2019

Bis(Tetra­Phenyl­Arsonium) Hexa­Fluorido­Technetate(Iv) Dihydrate: Preparation, Structure And Spectroscopic Analysis, Samundeeswari Mariappan Balasekaran, Frederic Poineau

Chemistry and Biochemistry Faculty Research

Reports of quadrivalent transition-metal fluoride salts containing bulky organic cations are limited. In this context, we prepared the bis­(tetra­phenyl­arsonium) hexa­fluorido­technetate(IV) dihydrate salt, (C24H20As)2[TcF6]·2H2O, by a cation metathesis reaction of (NH4)2[TcF6] in water. This is the first report of an arsonium salt of the hexa­fluorido­technetate(IV) dianion. (AsPh4)2[TcF6]·2H2O crystallizes in the triclinic space group P[\overline{1}]. The [TcF6]2− anion adopts a slightly distorted octa­hedral geometry with an average Tc—F bond length of 1.933 Å. The cyclic voltammogram of (AsPh4)2[TcF6]·2H2O in CH3CN shows a one-electron reversible oxidation wave at 1.496 V.


Closing The Nuclear Fuel Cycle With A Simplified Minor Actinide Lanthanide Separation Process (Alsep) And Additive Manufacturing, Artem V. Gelis, Peter Kozak, Andrew T. Breshears, M. Alex Brown, Cari Launiere, Emily L. Campbell, Gabreil B. Hall, Tatiana G. Levitskaia, Vanessa E. Holfeltz, Gregg J. Lumetta Sep 2019

Closing The Nuclear Fuel Cycle With A Simplified Minor Actinide Lanthanide Separation Process (Alsep) And Additive Manufacturing, Artem V. Gelis, Peter Kozak, Andrew T. Breshears, M. Alex Brown, Cari Launiere, Emily L. Campbell, Gabreil B. Hall, Tatiana G. Levitskaia, Vanessa E. Holfeltz, Gregg J. Lumetta

Chemistry and Biochemistry Faculty Research

Expanded low-carbon baseload power production through the use of nuclear fission can be enabled by recycling long-lived actinide isotopes within the nuclear fuel cycle. This approach provides the benefits of (a) more completely utilizing the energy potential of mined uranium, (b) reducing the footprint of nuclear geological repositories, and (c) reducing the time required for the radiotoxicity of the disposed waste to decrease to the level of uranium ore from one hundred thousand years to a few hundred years. A key step in achieving this goal is the separation of long-lived isotopes of americium (Am) and curium (Cm) for recycle …


Modifications Of The Cztse/Mo Back-Contact Interface By Plasma Treatments, Wenjin Chen, Teoman Taskesen, David Nowak, Ulf Mikolajczak, Mohamed H. Sayed, Devendra Pareek, Jorg Ohland, Thomas Schnabel, Erik Ahlswede, Dirk Hauschild, Lothar Weinhardt, Clemens Heske, Jurgen Parisi, Levent Gutay Aug 2019

Modifications Of The Cztse/Mo Back-Contact Interface By Plasma Treatments, Wenjin Chen, Teoman Taskesen, David Nowak, Ulf Mikolajczak, Mohamed H. Sayed, Devendra Pareek, Jorg Ohland, Thomas Schnabel, Erik Ahlswede, Dirk Hauschild, Lothar Weinhardt, Clemens Heske, Jurgen Parisi, Levent Gutay

Chemistry and Biochemistry Faculty Research

Molybdenum (Mo) is the most commonly used back-contact material for copper zinc tin selenide (CZTSe)-based thin-film solar cells. For most fabrication methods, an interfacial molybdenum diselenide (MoSe2) layer with an uncontrolled thickness is formed, ranging from a few tens of nm up to ≈1 μm. In order to improve the control of the back-contact interface in CZTSe solar cells, the formation of a MoSe2 layer with a homogeneous and defined thickness is necessary. In this study, we use plasma treatments on the as-grown Mo surface prior to the CZTSe absorber formation, which consists of the deposition of stacked metallic layers …


Stereodynamical Control Of A Quantum Scattering Resonance In Cold Molecular Collisions, Pablo G. Jambrina, James F.E. Croft, Hua Guo, Mark Brouard, Balakrishnan Naduvalath, F. Javier Aoiz Jul 2019

Stereodynamical Control Of A Quantum Scattering Resonance In Cold Molecular Collisions, Pablo G. Jambrina, James F.E. Croft, Hua Guo, Mark Brouard, Balakrishnan Naduvalath, F. Javier Aoiz

Chemistry and Biochemistry Faculty Research

Cold collisions of light molecules are often dominated by a single partial wave resonance. For the rotational quenching of HD (v=1, j=2) by collisions with ground state para-H2, the process is dominated by a single L=2 partial wave resonance centered around 0.1 K. Here, we show that this resonance can be switched on or off simply by appropriate alignment of the HD rotational angular momentum relative to the initial velocity vector, thereby enabling complete control of the collision outcome.


An Unexpected Rhenium(Iv)–Rhenium(Vii) Salt: [Co(Nh3)6]3[Reviio4][Reivf6]46h2o, James Louis_Jean, Samudee Mariappan Balasekaran, Adelheid Hagenbach, Frederic Poineau Jul 2019

An Unexpected Rhenium(Iv)–Rhenium(Vii) Salt: [Co(Nh3)6]3[Reviio4][Reivf6]46h2o, James Louis_Jean, Samudee Mariappan Balasekaran, Adelheid Hagenbach, Frederic Poineau

Chemistry and Biochemistry Faculty Research

The title hydrated salt, tris[hexaamminecobalt(III)] tetraoxidorhenate(VII) tetrakis[hexafluoridorhenate(IV)] hexahydrate, arose unexpectedly due to possible contamination of the K2ReF6 starting material with KReO4. It consists of octahedral [Co(NH3)6] 3+ cation (Co1 site symmetry 1), tetrahedral [ReVIIO4] anions (Re site symmetry 1) and octahedral [ReIVF6] 2 anions (Re site symmetries 1and 3). The [ReF6] 2 octahedral anions (mean Re—F = 1.834 A˚ ), [Co(NH3)6] 3+ octahedral cations (mean Co—N = 1.962 A˚ ), and the [ReO4] tetrahedral anion (mean Re—O = 1.719 A˚ ) are slightly distorted. A network of N—HF hydrogen bonds consolidates the structure. The crystal studied was refined as a …


Rotational Quenching Of Hd Induced By Collisions With H2 Molecules, Yier Wan, Nadulvalath Balakrishnan, B. H. Yang, R. C. Forrey, P. C. Stancil Jun 2019

Rotational Quenching Of Hd Induced By Collisions With H2 Molecules, Yier Wan, Nadulvalath Balakrishnan, B. H. Yang, R. C. Forrey, P. C. Stancil

Chemistry and Biochemistry Faculty Research

Rate coefficients for rotational transitions in HD induced by H2 impact for rotational levels of HD j ≤ 8 and temperatures 10 K ≤ T ≤ 5000 K are reported. The quantum mechanical close-coupling (CC) method and the coupled-states (CS) decoupling approximation are used to obtain the cross-sections employing the most recent highly accurate H2–H2 potential energy surface (PES). Our results are in good agreement with previous calculations for low-lying rotational transitions The cooling efficiency of HD compared with H2 and astrophysical applications are briefly discussed.


The Purported Square Ice In Bilayer Graphene In A Nanoscale, Monolayer Object, Tod A. Pascal, Craig P. Schwartz, Keith V. Lawler, David Prendergast Jun 2019

The Purported Square Ice In Bilayer Graphene In A Nanoscale, Monolayer Object, Tod A. Pascal, Craig P. Schwartz, Keith V. Lawler, David Prendergast

Chemistry and Biochemistry Faculty Research

The phase diagram of water is complex, and interfacial effects can stabilize unusual structures at the nanoscale. Here, we employ bond order accelerated molecular dynamics simulations to show that upon encapsulation within bilayer graphene, water can spontaneously adopt a two-dimensional (monomolecular) layer of “square ice” at ambient conditions, instead of an encapsulated water droplet. Free energy calculations show that this motif is thermodynamically stable up to diameters of approximately 15 nm due to enhanced hydrogen bonding and favorable binding to the graphene sheets. Entropic losses due to solidification and reduced graphene–graphene binding enthalpy are opposing thermodynamic forces that conspire to …


Thermotropic Liquid-Crystalline And Light-Emitting Properties Of Poly(Pyridinium) Salts Containing Various Diamine Connectors And Hydrophilic Macrocounterions, Tae Soo Jo, Haesook Han, Pradip K. Bhowmik, Benoît Heinrich, Bertrand Donnio May 2019

Thermotropic Liquid-Crystalline And Light-Emitting Properties Of Poly(Pyridinium) Salts Containing Various Diamine Connectors And Hydrophilic Macrocounterions, Tae Soo Jo, Haesook Han, Pradip K. Bhowmik, Benoît Heinrich, Bertrand Donnio

Chemistry and Biochemistry Faculty Research

A set of poly(pyridinium) salts containing various diamine moieties, as molecular connectors, and poly(ethyleneglycol)-4-nonylphenyl-3-sulfopropyl ether, thereafter referred to as “Macroion”, as the hydrophilic counterion, were prepared by metathesis reaction from the respective precursory tosylated poly(pyridinium)s in methanol. The structure of these ionic polymers was established by spectroscopy and chromatography techniques. The shape-persistent ionic poly(pyridinium) materials, inserting rigid or semi-rigid diamine spacers, display thermotropic liquid-crystalline properties from room-temperature up to their isotropization (in the temperature range around 160–200 °C). The nature of the LC phases is lamellar in both cases as identified by the combination of various complementary experimental techniques including …


Controlling Rotational Quenching Rates In Cold Molecular Collisions, James F.E. Croft, Balakrishnan Naduvalath Apr 2019

Controlling Rotational Quenching Rates In Cold Molecular Collisions, James F.E. Croft, Balakrishnan Naduvalath

Chemistry and Biochemistry Faculty Research

The relative orientation and alignment of colliding molecules plays a key role in determining the rates of chemical processes. Here, we examine in detail a prototypical example: rotational quenching of HD in cold collisions with H2. We show that the rotational quenching rate from j = 2 → 0, in the v = 1 vibrational level, can be maximized by aligning the HD along the collision axis and can be minimized by aligning the HD at the so called magic angle. This follows from quite general helicity considerations and suggests that quenching rates for other similar systems can also be …


Thermotropic Liquid-Crystalline Properties Of Viologens Containing 4-N-Alkylbenzenesulfonates†, Pradip K. Bhowmik, Anthony Chang, Jongin Kim, Erenz J. Dizon, Ronald Carlo G. Principe, Haesook Han Feb 2019

Thermotropic Liquid-Crystalline Properties Of Viologens Containing 4-N-Alkylbenzenesulfonates†, Pradip K. Bhowmik, Anthony Chang, Jongin Kim, Erenz J. Dizon, Ronald Carlo G. Principe, Haesook Han

Chemistry and Biochemistry Faculty Research

A series of viologens containing 4-n-alkylbenzenesulfonates were synthesized by the metathesis reaction of 4-n-alkylbenzenesulfonic acids or sodium 4-n-alkylbezenesulfonates with the respective viologen dibromide in alcohols. Their chemical structures were characterized by Fourier Transform Infrared, 1H and 13C Nuclear Magnetic Resonance spectra and elemental analysis. Their thermotropic liquid-crystalline (LC) properties were examined by differential scanning calorimetry and polarizing optical microscopy. They formed LC phases above their melting transitions and showed isotropic transitions. As expected, all the viologen salts had excellent stabilities in the temperature range of 278–295 °C as determined by thermogravimetric analysis.