Results 71 to 80 of about 25,037 (299)

Exploring the role of electronic structure on photo-catalytic behavior of carbon-nitride polymorphs

, 2020
A fully self-consistent density-functional theory (DFT) with improved functionals is used to provide a comprehensive account of structural, electronic, and optical properties of C$_{3}$N$_{4}$ polymorphs. Using our recently developed van Leeuwen-Baerends
Chaudhuri, Chhanda, Datta, Sujoy, Harbola, Manoj, Jana, Debnarayan, Johnson, Duane, Johnson, Duane, Mookerjee, Abhijit, Singh, Prashant   +7 more
core   +2 more sources

Mixed‐Metal Promotion in a Manganese‐Molybdenum Oxynitride as Catalyst to Integrate C─C and C─N Coupling Reactions for the Direct Synthesis of Acetonitrile from Syngas and Ammonia

Advanced Materials, EarlyView.
Transition metal oxy/carbo‐nitrides show great promise as catalysts for sustainable processes. A Mn‐Mo mixed‐metal oxynitride attains remarkable performance for the direct synthesis of acetonitrile, an important commodity chemical, via sequential C─N and C─C coupling from syngas (C1) and ammonia (N1) feedstocks.
M. Elena Martínez‐Monje, Wilson Henao, Tania Rodenas, Patricia Concepción, Virginia Pérez Dieste, Alexander Missyul, Giovanni Agostini, Gonzalo Prieto   +7 more
wiley   +1 more source

Theoretical studies on mechanical and electronic properties of $s$-triazine sheet

, 2017
Mechanical and electronic properties of $s$-triazine are studied using first-principles calculations based on density functional theory. The in-plane stiffness and bulk modulus for $s$-triazine sheet are found to be less than that of heptazine.
Abdullahi, Yusuf Zuntu, Halim, Mohd Mahadi, Hashim, Md. Roslan, Lim, Thong Leng, Yoon, Tiem Leong   +4 more
core   +1 more source

Thermal Conversion of Guanylurea Dicyanamide into Graphitic Carbon Nitride via Prototype CNx Precursors [PDF]

, 2005
Guanylurea dicyanamide, [(H2N)C(-O)NHC(NH2)2][N(CN)2], has been synthesized by ion exchange reaction in aqueous solution and structurally characterized by single-crystal X-ray diffraction (C2/c, a = 2249.0(5) pm, b = 483.9(1) pm, c = 1382.4(3) pm, β = 99.
Alves I., Begley M. J., Bremner C. A., Cohen M. L., D'Alelio G. F. U.S., Fingrhut H., Fischer G., Frankel M. B., Franklin E. C., Garrigue R., Gmelin L., Harrison W. T. A., Irran E., Irran E., Jürgens B., Jürgens B., Jürgens B., Jürgens B., Jürgens B., Jürgens B., Jürgens B. Ph.D., Komatsu T., Komatsu T., Komatsu T., Komatsu T., Kouvetakis J., Kroke E., Kroke E., Kroll P., Liebig J. v., Liebig J. v., Liebig J. v., Liu A. Y., Lotsch B. V., Lotsch B. V., Lotsch B. V., Mattesini M., Mattesini M., May H., Niu C., Nurakhmetov N. N., Odo K., Oshima Y., Sheldrick G. M., Sheldrick G. M., Shtrempler G. I., Teter D. M.   +46 more
core   +1 more source

POM‐Based Water Splitting Catalyst Under Acid Conditions Driven by Its Assembly on Carbon Nanotubes

Advanced Materials, EarlyView.
A newly‐engineered POM‐based electrocatalyst incorporating non‐innocent counter cations exhibits fast kinetics for either the OER or HER under strongly acidic conditions (1 m H2SO4), depending on whether it is assembled on carbon nanotubes (1@CNT) or physically mixed with them (1/CNT). In water‐splitting tests using a two‐electrode setup, these systems
Eugenia P. Quirós‐Díez, Melanie Guillén‐Soler, Carlos Herreros‐Lucas, Alejandro López‐Moreno, José Manuel Vila‐Fungueiriño, Antonio Luis Llamas‐Saiz, Karol Strutyński, Manuel Melle‐Franco, María del Carmen Giménez‐López   +8 more
wiley   +1 more source

Sugars induced exfoliation of porous graphitic carbon nitride for efficient hydrogen evolution in photocatalytic water-splitting reaction

Scientific Reports
Photocatalytic hydrogen evolution holds great promise for addressing critical energy and environmental challenges, making it an important area in scientific research.
Daria Baranowska, Klaudia Zielinkiewicz, Ewa Mijowska, Beata Zielinska   +3 more
doaj   +1 more source

Titanium Nitride/Carbon Coatings on Graphite Fibers [PDF]

Journal of the American Ceramic Society, 1997
Titanium nitride (TiN) coatings were applied to graphite‐fiber tows by dip coating desized (900°C in nitrogen) fibers in hexane solutions containing 0.5, 1, or 2 equivalent wt% TiN as the precursor, [Ti(NMe 2 ) x (μ–NCHMe 2
Liu, Yin, Treadwell, David R., Kannisto, Mike R., Mueller, Brian L., Laine, Richard M.   +4 more
openaire   +2 more sources

Ab-initio calculations of carbon and boron nitride allotropes and their structural phase transitions using periodic coupled cluster theory

, 2018
We present an ab-initio study of boron nitride as well as carbon allotropes. Their relative thermodynamic stabilities and structural phase transitions from low- to high-density phases are investigated.
Gruber, Thomas, Grüneis, Andreas
core   +1 more source

In Situ Amine Formation to Modulate MOF‐Derived PdIn N‐Doped Carbon Catalysts

Advanced Materials, EarlyView.
An amine‐assisted approach converts PdIn‐MOF into PdIn intermetallic nanoparticles embedded in N‐doped carbon. In situ‐generated amines trigger early Pd nucleation, producing smaller PdIn domains than direct pyrolysis. Amine sterics and basicity tune composition and particle size, while solvent and amine co‐determine textural features.
Gonzalo Egea, Jordan Santiago Martinez, M. Asunción Molina, Jaime Mazarío, Lucy Costley‐Wood, Christian Cerezo‐Navarrete, Carlo Marini, Eduardo Villalobos‐Portillo, Andrew M. Beale, Pascual Oña‐Burgos   +9 more
wiley   +1 more source

Fabrication of Ag3PO4/g-C3N4 heterojunction photocatalyst via in-situ growth and its photocatalytic performance.

PLoS ONE
Current methods for fabricating heterojunction photocatalysts often involve complex processes and weak interfacial bonding. To address the limitations of complex processes and weak interfacial bonding in existing heterojunction photocatalyst fabrication,
Shenghui Wen, Yanchun Huang
doaj   +1 more source