ChemPhysChem

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Combined Theoretical and Experimental Investigation of CO Adsorption on Coordinatively Unsaturated Sites in CuBTC MOF
ChemPhysChem - Tập 13 Số 2 - Trang 488-495 - 2012
Miroslav Rubeš, Lukáš Grajciar, Ota Bludský, Andrew D. Wiersum, Philip L. Llewellyn, Petr Nachtigall
AbstractThe adsorption of CO in metal–organic framework CuBTC material is investigated by a combination of theoretical and experimental approaches. The adsorption enthalpy of CO on CuBTC determined experimentally to be −29 kJ mol−1 at the zero‐coverage limit is in very good agreement with the adsorption enthalpy calculated at the combined DFT–a...... hiện toàn bộ
Facile Template‐Free Synthesis of Bi2O2CO3 Hierarchical Microflowers and Their Associated Photocatalytic Activity
ChemPhysChem - Tập 11 Số 10 - Trang 2167-2173 - 2010
Hefeng Cheng, Baibiao Huang, Kesong Yang, Zeyan Wang, Xiaoyan Qin, Qian Zhang, Ying Dai
AbstractHierarchical Bi2O2CO3 flowerlike microstructures have been synthesized for the first time using a facile, template‐free, and low‐temperature solution method. With an average diameter of about 3 μm, the as‐prepared Bi2O2CO3... hiện toàn bộ
A Spray‐Based Technique for the Production of MnS Thin Films
ChemPhysChem - Tập 16 Số 2 - Trang 353-359 - 2015
Lilac Amirav, Efrat Lifshitz
AbstractA spray‐based technique, originally developed for the production of semiconductor nanocrystals, is utilized for the preparation of high‐quality nanocrystalline thin films, as demonstrated with manganese sulfide. The films are formed by the use of pneumatic‐assisted thermospray or pneumatic nebulizers. Our simple, low‐cost, and low‐temperature process result...... hiện toàn bộ
Optical Resonator Biosensors: Molecular Diagnostic and Nanoparticle Detection on an Integrated Platform
ChemPhysChem - Tập 13 Số 2 - Trang 427-436 - 2012
Martin D. Baaske, Frank Vollmer
AbstractOptical resonator biosensors are emerging as one of the most sensitive microsystem biodetection technology that does not require amplification or labeling of the analyte. This minireview provides a scholarly introduction to this research area and reviews current advances in molecular diagnostics and nanoparticle detection.
Backbone‐Only Protein Solution Structures with a Combination of Classical and Paramagnetism‐Based Constraints: A Method that Can Be Scaled to Large Molecules
ChemPhysChem - Tập 5 Số 6 - Trang 797-806 - 2004
Renato Barbieri, Claudio Luchinat, Giacomo Parigi
AbstractHerein, it is shown that a medium‐resolution solution structure of a protein can be obtained with the sole assignment of the protein backbone and backbone‐related constraints if a derivative with a firmly bound paramagnetic metal is available. The proof‐of‐concept is provided on calbindin D9k, a calcium binding protein in which one of t...... hiện toàn bộ
Biosilica‐Entrapped Enzymes Studied by Using Dynamic Nuclear‐Polarization‐Enhanced High‐Field NMR Spectroscopy
ChemPhysChem - Tập 16 Số 13 - Trang 2751-2754 - 2015
Enrico Ravera, Vladimir K. Michaelis, Ta‐Chung Ong, Eric G. Keeler, Tommaso Martelli, Marco Fragai, Robert G. Griffin, Claudio Luchinat
AbstractEnzymes are used as environmentally friendly catalysts in many industrial applications, and are frequently immobilized in a matrix to improve their chemical stability for long‐term storage and reusability. Recently, it was shown that an atomic‐level description of proteins immobilized in a biosilica matrix can be attained by examining their magic‐angle spin...... hiện toàn bộ
Application of Hole Theory to the Viscosity of Ionic and Molecular Liquids
ChemPhysChem - Tập 5 Số 8 - Trang 1242-1246 - 2004
Andrew P. Abbott
Critical Size for O2 Dissociation by Au Nanoparticles
ChemPhysChem - Tập 10 Số 2 - Trang 348-351 - 2009
Alberto Roldán, Silvia González, Josep M. Ricart, Francesc Illas
AbstractDensity functional theory calculations predict that the presence of low‐coordination Au atoms is not enough to dissociate O2, that there is a common pathway for O2 dissociation on Au nanoparticles and that there is critical size for Au nanoparticles to dissociate O2 (see f...... hiện toàn bộ
Density Functional Theory Study of Hydrogen Adsorption in a Ti‐Decorated Mg‐Based Metal–Organic Framework‐74
ChemPhysChem - Tập 17 Số 6 - Trang 879-884 - 2016
Pitphichaya Suksaengrat, Vittaya Amornkitbamrung, Pornjuk Srepusharawoot, Rajeev Ahuja
AbstractThe Ti‐binding energy and hydrogen adsorption energy of a Ti‐decorated Mg‐based metal–organic framework‐74 (Mg‐MOF‐74) were evaluated by using first‐principles calculations. Our results revealed that only three Ti adsorption sites were found to be stable. The adsorption site near the metal oxide unit is the most stable. To investigate the hydrogen‐adsorptio...... hiện toàn bộ
Characterization of a Poly‐4‐Vinylpyridine‐Supported CuPd Bimetallic Catalyst for Sonogashira Coupling Reactions
ChemPhysChem - Tập 18 Số 14 - Trang 1921-1928 - 2017
Claudio Evangelisti, A. Balerna, Rinaldo Psaro, Graziano Fusini, Adriano Carpita, M. Benfatto
AbstractCuPd bimetallic solvated metal atoms (SMA) synthesized by metal vapor synthesis (MVS) technique and supported on poly‐4‐vinylpyridine (PVPy) resin, showed significantly higher catalytic activity in Sonogashira‐type carbon–carbon coupling reactions than the corresponding monometallic Cu and Pd systems as well as their physical mixture. The analysis of the bi...... hiện toàn bộ
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