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Electrocatalytic proton-reduction behaviour of telluride-capped triiron clusters: tuning of overpotentials and stabilization of redox states relative to lighter chalcogenide analogues
Article investigating the utility of the non-biological element tellurium as a replacement for the widely biologically-utilized lighter chalcogenides sulfur and selenium in the realm of proton-reduction catalysis.
Date:
May 14, 2020
Creator:
Hrovat, David A.; Richmond, Michael G.; Rahaman, Ahibur; Lisensky, George C.; Browder-Long, Jess; Nordlander, Ebbe et al.
Object Type:
Article
System:
The UNT Digital Library
Asymmetric hydrogenation of an α-unsaturated carboxylic acid catalyzed by intact chiral transition metal carbonyl clusters – diastereomeric control of enantioselectivity
Article presenting research where twenty clusters of the general formula [(μ-H)₂Ru₃(μ₃-S)(CO)₇(μ-P–P*)] (P–P* = chiral diphosphine of the ferrocene-based Walphos or Josiphos families) have been synthesised and characterised.
Date:
February 27, 2020
Creator:
Richmond, Michael G.; Abdel-Magied, Ahmed F.; Theibich, Yusuf; Singh, Amrendra K.; Rahaman, Ahibur; Doverbratt, Isa et al.
Object Type:
Article
System:
The UNT Digital Library
Metal–Organic Frameworks for Enzyme Immobilization: Beyond Host Matrix Materials
Article reviews current research of role/function diversities of host matrix metal–organic frameworks (MOFs), noting the importance of understanding enzyme structural alternation and enzyme−MOF interaction after immobilization.
Date:
August 27, 2020
Creator:
Wang, Xiaoliang; Lan, Pui Ching & Ma, Shengqian
Object Type:
Article
System:
The UNT Digital Library
Review—Two Different Multiple Photosynthetic Reaction Centers Using Either Zinc Porphyrinic Oligopeptide-Fulleropyrrolidine or Free-Base Porphyrinic Polypeptide-Li+@C60 Supramolecular Complexes
Article presents an overview of two successful examples of photosynthetic reaction center models combined with light-capturing antenna chromophores. This article is part of the JSS Focus Issue on Porphyrins, Phthalocyanines, and Supramolecular Assemblies in Honor of Karl M. Kadish.
Date:
August 10, 2020
Creator:
D'Souza, Francis; Solladié, Nathalie; Fukuzumi, Shunichi; Ohkubo, Kei; Rein, Régis; Saito, Kenji et al.
Object Type:
Article
System:
The UNT Digital Library
Role of quantum confinement and interlayer coupling in CrI3-graphene magnetic tunnel junctions
Article presents a combination of first principles and quantum ballistic transport calculations to shed important insights from an atomistic viewpoint on the underlying mechanisms governing spin transport in graphene/ CrI₃ junctions.
Date:
May 29, 2020
Creator:
Buongiorno Nardelli, Marco; Heath, Jonathan J.; Costa, Marcio & Kuroda, Marcelo A.
Object Type:
Article
System:
The UNT Digital Library
Electropolymerizable meso-Tetrakis Biphenyl-Bis(bithiophene) Zinc Porphyrin: Ground and Excited State Properties in Solution and in Films with Axially Coordinated C60
Article presenting research where an electropolymerizable zinc porphyrin carrying eight entities of peripheral bithiophene, 4 was newly designed and synthesized.
Date:
July 9, 2020
Creator:
Ganesan, Ashwin; Shao, Shuai; Seetharaman, Sairaman; Perera, Wijayantha A. & D'Souza, Francis
Object Type:
Article
System:
The UNT Digital Library
Triplet photosensitizer-nanotube conjugates: synthesis, characterization and photochemistry of charge stabilizing, palladium porphyrin/carbon nanotube conjugates
Author Manuscript version of an article investigating the ability of a triplet photosensitizer to generate long-lived charge separated states, in contrast to traditionally used singlet photosensitizers, in covalently functionalized single-walled carbon nanotube hybrids.
Date:
April 21, 2020
Creator:
Arellano, Luis M.; Gobeze, Habtom B.; Gómez-Escalonilla, María J.; Fierro, Jose Luis G.; D'Souza, Francis & Langa, Fernando
Object Type:
Article
System:
The UNT Digital Library
Electron Transfer Mediated by Iron Carbonyl Clusters Enhance Light-Driven Hydrogen Evolution in Water by Quantum Dots
This article tests an assembly consisting of CdSe quantum dots and [Fe₃Te₂(CO)₉] as a catalytic system for proton reduction in aqueous solution.
Date:
March 9, 2020
Creator:
Richmond, Michael G.; Li, Chuanshuai; Rahaman, Ahibur; Lin, Weihua; Mourad, Hassan; Meng, Jie et al.
Object Type:
Article
System:
The UNT Digital Library
Covalency in Fe2O3 and FeO: Consequences for XPS satellite intensity
Article examines the covalent character of the interaction between the metal cation and the oxygen ligands for two Fe oxides with different nominal oxidation states, Fe(II)O, and Fe(III)₂O₃.
Date:
November 17, 2020
Creator:
Bagus, Paul S.; Nelin, Connie J.; Brundle, C. R.; Crist, B. Vincent; Lahiri, N. & Rosso, Kevin M.
Object Type:
Article
System:
The UNT Digital Library
Plasma modification of vanadium oxynitride surfaces: Characterization by in situ XPS experiments and DFT calculations
Article reports XPS and DFT findings regarding the O₂ plasma, NH₃ plasma, and NH₃+O₂ plasma treatment of sputter deposited vanadium oxynitride films.
Date:
October 13, 2020
Creator:
Osonkie, A.; Lee, V.; Chukwunenye, P.; Cundari, Thomas R., 1964- & Kelber, Jeffry A.
Object Type:
Article
System:
The UNT Digital Library
Metallic nanoparticle production and exposure/deposition system for toxicological research applications using zebrafish
Article presents a method that provides a novel way to synthesize NPs and expose biological organisms for various toxicological analysis.
Date:
September 3, 2020
Creator:
Nayek, Subhayu; Aguilar, Roberto; Juel, Lauren A. & Verbeck, Guido F.
Object Type:
Article
System:
The UNT Digital Library
Hole-punching for enhancing electrocatalytic activities of 2D graphene electrodes: Less is more
Article develops 2D carbon electrocatalysts based on graphene with and without punched holes and/or N-doping and performs a comprehensive combined experimental and theoretical study on the edge and surface electrocatalytic activities of single-layer 2D graphene sheets.
Date:
August 17, 2020
Creator:
Xia, Zhenhai; Gao, Yunxiang; Zhang, Lipeng; Li, Chang Ming & Dai, Liming
Object Type:
Article
System:
The UNT Digital Library
Multi-modal surface analysis of porous films under operando conditions
Article presents thin film analogs of practical catalysts that allow for the implementation of surface characterization tools, including advanced microscopy and operando spectroscopy methodologies.
Date:
August 4, 2020
Creator:
Eads, Calley N.; Zhong, Jian-Qiang; Kim, Donghun; Akter, Nusnin; Chen, Zhihengyu; Norton, Angela M. et al.
Object Type:
Article
System:
The UNT Digital Library
Calculation of Abraham Model L-Descriptor and Standard Molar Enthalpies of Vaporization for Linear C7-C14 Alkynes From Gas Chromatographic Retention Index Data
Article determines Abraham model L solute descriptors for an additional 33 linear C7-C14 alkynes based on published gas chromatographic retention indices for solutes eluted from capillary columns coated with squalane and apiezon L stationary phases.
Date:
2021
Creator:
Shanmugam, Neel; Eddula, Shrika; Acree, William E. (William Eugene) & Abraham, M. H. (Michael H.)
Object Type:
Article
System:
The UNT Digital Library
Analysis of the Fe 2p XPS for hematite 𝛂 Fe2O3: Consequences of covalent bonding and orbital splittings on multiplet splittings
Article analyzes the origins of the complex Fe 2p X-Ray Photoelectron Spectra (XPS) of hematite (α-Fe₂O₃) and is related to the character of the bonding in this compound. This analysis provides a new and novel view of the reasons for XPS binding energies (BEs) and BE shifts, which deepens the current understanding and interpretation of the physical and chemical significance of the XPS. This article is part of the JCP Special Topic on Oxide Chemistry and Catalysis.
Date:
January 2, 2020
Creator:
Bagus, Paul S.; Nelin, Connie J.; Brundle, C. R.; Lahiri, N.; Ilton, Eugene S. & Rosso, Kevin M.
Object Type:
Article
System:
The UNT Digital Library
Flipped and Free: an inverted, active-learning general chemistry course using exclusively OER
Presentation on using a flipped course format and including an open textbook, OpenStax: Chemistry 2e. Flipped courses provide lecture content that is accessible online, and they use class time for active learning activities. It is a part of 2022 University of North Texas Open Access Symposium that was held on March 8, 2022.
Date:
March 8, 2022
Creator:
Petros, Amy K.
Object Type:
Presentation
System:
The UNT Digital Library
Revision and Extension of a Generally Applicable Group-Additivity Method for the Calculation of the Standard Heat of Combustion and Formation of Organic Molecules
Article presenting the calculation of the heats of combustion ΔH°c and formation ΔH°f of organic molecules at standard conditions using a commonly applicable computer algorithm based on the group-additivity method. This work is a continuation and extension of an earlier publication.
Date:
October 10, 2021
Creator:
Naef, Rudolf & Acree, William E. (William Eugene)
Object Type:
Article
System:
The UNT Digital Library
Excited State Charge Separation in an Azobenzene-Bridged Perylenediimide Dimer – Effect of Photochemical Trans-Cis Isomerization
Article demonstrating photoinduced charge transfer and separation events in a newly synthesized azobenzene-bridged perylenediimide-dimer (PDI-dimer). Results offer key insights on the role of the azobenzene bridge and the dimer geometry in governing the excited state charge transfer and separation in symmetrically linked PDI dimer.
Date:
September 20, 2021
Creator:
Zink-Lorre, Nathalie; Seetharaman, Sairaman; Gutiérrez-Moreno, David; Fernández-Lázaro, Fernando; Karr, Paul A. & D'Souza, Francis
Object Type:
Article
System:
The UNT Digital Library
Self-reporting molecularly imprinted polymer with the covalently immobilized ferrocene redox probe for selective electrochemical sensing of p-synephrine
Article simultaneously imprinting the p-synephrine 1 template and covalently immobilizing a a ferrocene redox probe in a (bis-bithiophene)-based polymer. The resulting molecularly imprinted polymer (MIP) was deposited on the Pt electrode as a thin film to form a redox self-reporting MIP film-based chemosensor.
Date:
June 10, 2021
Creator:
Lach, Patrycja; Cieplak, Maciej; Noworyta, Krzysztof R.; Pieta, Piotr; Lisowski, Wojciech; Kalecki, Jakub et al.
Object Type:
Article
System:
The UNT Digital Library
Cysne et al. Reply
This article is a response to a comment on the authors' original article "Disentangling Orbital and Valley Hall Effects in Bilayers of Transition Metal Dichalcogenides." The authors' response concludes that they do not believe the main points of the original Letter are affected by the Comment.
Date:
October 1, 2021
Creator:
Cysne, Tarik P.; Costa, Marcio; Canonico, Luis M.; Buongiorno Nardelli, Marco; Muniz, R. B. & Rappoport, Tatiana G.
Object Type:
Article
System:
The UNT Digital Library
Theoretical modeling study of the reaction H + CF4 → HF + CF3
This article determines the rate constant of the reaction H + CF₄ → HF + CF₃, characterizing its transition state by quantum-chemical methods.
Date:
March 23, 2021
Creator:
Cobos, Carlos J.; Knight, Gary; Marshall, Paul & Troe, Jürgen
Object Type:
Article
System:
The UNT Digital Library
Biosynthesis of 6-Hydroxymellein Requires a Collaborating Polyketide Synthase-like Enzyme
This article investigates a new architecture for iterative Type I polyketide synthases (PKS) from fungi.
Date:
May 10, 2021
Creator:
Kahlert, Lukas; Villanueva, Miranda; Cox, Russell J. & Skellam, Elizabeth
Object Type:
Article
System:
The UNT Digital Library
Spatial Engineering Direct Cooperativity between Binding Sites for Uranium Sequestration
This article gives a full account of the conceptual and experimental development from randomly distributed functionalities to a convergent arrangement that facilitates cooperative binding is given, thus conferring exceptional affinity toward the analyte of interest. The concept presented here uncovers a new paradigm in the design of efficient sorbent materials by manipulating the spatial distribution to amplify the cooperation of functions.
Date:
December 4, 2020
Creator:
Sun, Qi; Song, Yanpei; Aguila, Briana; Ivanov, Aleksandr S.; Bryantsev, Vyacheslav S. & Ma, Shengqian
Object Type:
Article
System:
The UNT Digital Library
Self-Assembly-Directed Organization of a Fullerene–Bisporphyrin into Supramolecular Giant Donut Structures for Excited-State Charge Stabilization
This article creates a well-defined architecture for functional materials composed of spontaneously self-assembled electron donor and acceptor entities capable of generating long-lived charge-separated states upon photoillumination and reports the synthesis of a new fullerene–bis-Zn-porphyrin e-bisadduct by tether-directed functionalization of C60 via a multistep synthetic protocol.
Date:
July 14, 2021
Creator:
Caballero, Rubén; Barrejón, Myriam; Cerdá, Jesús; Aragó, Juan; Seetharaman, Sairaman; de la Cruz, Pilar et al.
Object Type:
Article
System:
The UNT Digital Library