Synergistic Doping and Surface Decoration of Carbon Nitride Macrostructures by Single Crystal Design.
Jesús Barrio,Shmuel Barzilai,Neeta Karjule,Pilar Amo-Ochoa,Félix Zamora,Menny Shalom +5 more
- Vol. 4, Iss: 2, pp 1868-1875
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TLDR
In this paper, a one-pot synthesis of alkali-containing hybrid carbon nitride (CN) macrostructures with ionic crystals on its surface by utilizing a tailored melamine-hydrochloride-based molecular single crystal containing NaCl and KCl as reactants is reported.Abstract:
Tailored design of hybrid carbon nitride (CN) materials is quite challenging because of the drawbacks of the solid-state reaction, and the utilization of single crystals containing C-N monomers as reactants for the high-temperature reaction has been proven to imprint a given chemical composition, morphology, or electronic structure We report the one-pot synthesis of alkali-containing CN macrostructures with ionic crystals on its surface by utilizing a tailored melamine-hydrochloride-based molecular single crystal containing NaCl and KCl as reactants Structural and optical investigations reveal that upon calcination, molecular doping with Na+ and K+ is achieved, and additionally, the ionic species remain on the surface of the materials, resulting in an enhanced H2 evolution performance through water splitting owing to a high ionic strength of the reaction media Additionally, the most stable configuration of the alkaline metals in the CN lattice is evaluated by DFT calculations This work provides an approach for the rational design of CN and other related metal-free materials with controllable properties for energy-related applications and devicesread more
Citations
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Recent advances and perspectives for solar-driven water splitting using particulate photocatalysts.
TL;DR: In this article , the authors focus mainly on the recent advancements in terms of the development of new light-absorption materials, insights and strategies for photogenerated charge separation, and studies towards surface catalytic reactions and mechanisms.
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Tailoring boron doped intramolecular donor–acceptor integrated carbon nitride skeleton with propelling photocatalytic activity and mechanism insight
Tianyu Zhou,Tiantian Li,Jingyang Hou,Yanbo Wang,Bo Hu,Dongshu Sun,Yuanyuan Wu,Wei Jiang,Guangbo Che,Chunbo Liu +9 more
TL;DR: In this paper , a boron doped intramolecular donor-acceptor (D-A) integrated graphite phase carbon nitride (CN) with propelling photocatalytic performance was fabricated via facile thermal-melting followed thermal induce copolymerization of urea with m-aminophenylboronic acid.
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Molecular interpretation of the carbon nitride performance as a template for the transport of anti-cancer drug into the biological membrane
TL;DR: In this paper, the Doxorubicin (DOX)-loaded onto a carbon nitride (CN) nanosheet faced with bilayer membrane was evaluated by utilizing theoretical methods including molecular dynamics simulation and free energy calculations.
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The Influence of Metal-Doped Graphitic Carbon Nitride on Photocatalytic Conversion of Acetic Acid to Carbon Dioxide
Pichnaree Sakuna,Pradudnet Ketwong,Bunsho Ohtani,Jirawat Trakulmututa,Thawanrat Kobkeatthawin,Apanee Luengnaruemitchai,Siwaporn Meejoo Smith +6 more
TL;DR: In this article , the effects of metal dopants on physicochemical properties of graphitic carbon nitride (MCN) samples and their catalytic activity in the photooxidation of acetic acid were investigated and discussed for their correlation, especially on their surface and bulk structures.
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Synergistic Cyanamide Functionalization and Charge-Induced Activation of Nickel/Carbon Nitride for Enhanced Selective Photoreforming of Ethanol.
TL;DR: In this article, a synergistic modification of an in situ photodeposited Ni cocatalyst on carbon nitride via cyanamide functionalization and solid/liquid interfacial charge-induced activation using excess Ni2+ ions was reported for the first time.
References
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Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
Paolo Giannozzi,Stefano Baroni,Nicola Bonini,Matteo Calandra,Roberto Car,Carlo Cavazzoni,Davide Ceresoli,Guido L. Chiarotti,Matteo Cococcioni,Ismaila Dabo,A. Dal Corso,Stefano Fabris,Guido Fratesi,S. de Gironcoli,Ralph Gebauer,U. Gerstmann,Christos Gougoussis,Anton Kokalj,Michele Lazzeri,Layla Martin-Samos,Nicola Marzari,Francesco Mauri,Riccardo Mazzarello,Stefano Paolini,Alfredo Pasquarello,Lorenzo Paulatto,Carlo Sbraccia,Sandro Scandolo,Gabriele Sclauzero,Ari P. Seitsonen,Alexander Smogunov,Paolo Umari,Renata M. Wentzcovitch +32 more
TL;DR: Quantum ESPRESSO as discussed by the authors is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave).
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A metal-free polymeric photocatalyst for hydrogen production from water under visible light
Xinchen Wang,Kazuhiko Maeda,Arne Thomas,Kazuhiro Takanabe,Gang Xin,Johan M. Carlsson,Kazunari Domen,Markus Antonietti +7 more
TL;DR: It is shown that an abundant material, polymeric carbon nitride, can produce hydrogen from water under visible-light irradiation in the presence of a sacrificial donor.
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