Results 241 to 250 of about 3,429,176 (324)

Cu‐Based MOF/TiO2 Composite Nanomaterials for Photocatalytic Hydrogen Generation and the Role of Copper

Advanced Functional Materials, EarlyView.
HKUST‐1/TiO2 composite materials show a very high photocatalytic hydrogen evolution rate which increases as a function of the irradiation time until reaching a plateau and even surpasses the performance of the 1%Pt/TiO2 material after three photocatalytic cycles.
Alisha Khan, Marie Le Pivert, Alireza Ranjbari, Diana Dragoe, Daniel Bahena‐Uribe, Christophe Colbeau‐Justin, Christian Herrero, Dorota Rutkowska‐Zbik, Johnny Deschamps, Hynd Remita   +9 more
wiley   +1 more source

Computational Chemistry: Abstracts CC01-CC37

CHIMIA, 2013
doaj   +1 more source

Experimental and Theoretical Confirmation of Covalent Bonding in α‐Pu

Advanced Functional Materials, EarlyView.
From a combination of Reverse Monte Carlo dynamic rigid body fitting to the pair distribution functional and novel density functional approaches, the existence of covalent bonding is confirmed in α‐plutonium alongside other bonding types (i.e. mixed bonding schemes).
Alexander R. Muñoz, Matthew S. Cook, David C. Arellano, AM Milinda Abeykoon, Jeremy N. Mitchell, Sarah C. Hernandez, Eric D. Bauer, Christopher A. Mizzi, Boris Maiorov, Neil Harrison, W. Adam Phelan   +10 more
wiley   +1 more source

Computational Chemistry: Abstracts 155-210

CHIMIA, 2012
doaj   +1 more source

Fluorinated Pharmaceutical and Pesticide Photolysis: Investigating Reactivity and Identifying Fluorinated Products by Combining Computational Chemistry,¹⁹F NMR, and Mass Spectrometry. [PDF]

Environ Sci Technol
Bhat AP, Pomerantz WCK, Arnold WA.
europepmc   +1 more source

Superionic Disulfonic Acid Polymers

Advanced Functional Materials, EarlyView.
A strategy is presented to enhance the mechanical and ion transport properties of acid‐functionalized polymers through controlled polymerizations of precisely designed disulfonic acid monomers with well‐defined functional group arrangements. This approach allows for fine control over molecular interactions, and unexpected hydrophobic characteristics ...
Xuelang Gao, Hojun Lee, Woongsik Choi, Yunsoo Shim, Hyung Min Chi, Moon Jeong Park   +5 more
wiley   +1 more source

High Thermoelectric Performance in Low‐Cost Cu8SiSxSe6‐x Argyrodite

Advanced Functional Materials, EarlyView.
This study discovers the great potential of Cu8SiSxSe6‐x argyrodites as new, low‐cost, Te‐free thermoelectric materials. The proposed defect scheme suppresses the phase transition, enhances the weighted mobility and optimizes the grain boundary contacts.
Taras Parashchuk, Oleksandr Cherniushok, Bartlomiej Wiendlocha, Janusz Tobola, Raúl Cardoso‐Gil, G. Jeffrey Snyder, Yuri Grin, Krzysztof T. Wojciechowski   +7 more
wiley   +1 more source

Alignment-free Prediction of Ribonucleases using a Computational Chemistry approach: Comparison with HMM model and Isolation from Schizosaccharomyces pombe, Prediction, and Experimental assay of a new sequence

, 2008
Guillermín Agüero‐Chapín, Humberto González-Dı́az, Gustavo de la Riva, Edrey Rodríguez, Aminael Sánchez‐Rodríguez, Gianni Podda, Roberto I. Vázquez-Padrón   +6 more
openalex   +1 more source

Ultrafast Energy Transfer Induced Lasing From a Coplanar Donor‐Acceptor‐Donor Molecule in a Microspherical Cavity

Advanced Functional Materials, EarlyView.
This study presents a novel donor‐bridge‐acceptor‐bridge‐donor (D‐B‐A‐B‐D) molecular system, which shows near‐unity intramolecular excitation energy transfer (IET) from two identical energy donors to a coplanar acceptor. It enables a four‐level energy system for efficient lasing at the acceptor emission band in a microspherical cavity with a low lasing
Vishal Kumar, Soh Kushida, Takeru Inoue, Keisuke Iwata, Hiroshi Yamagishi, Hayato Tsuji, Yohei Yamamoto   +6 more
wiley   +1 more source

Computational Chemistry-Based Identification of Ultra-Low Temperature Water-Gas-Shift Catalysts

, 2008
Manos Mavrikakis
openalex   +2 more sources