Results 131 to 140 of about 527,698 (329)

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

<title>DFT beamforming algorithms for space-time-frequency applications</title> [PDF]

, 2000
Domingo Rodrı́guez, Marlene Vargas Solleiro, Yvonne Aviles   +2 more
openalex   +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

Diffusion, Excitons and Adsorptivity of H and He atoms on KBr (001) M-center Surface: DFT calculations [PDF]

, 2000
Kh.M. Eid
openalex   +1 more source

Vanadium Doped Magnetic MoS2 Monolayers of Improved Electrical Conductivity as Spin‐Orbit Torque Layer

Advanced Functional Materials, EarlyView.
Electrically conductive and room temperature magnetic atomically thin (≈0.8 nm) vanadium doped MoS2 (V‐MoS2) is demonstrated for its spintronic applications. Here, the spin transport at the interface of permalloy (Py) and high spin‐orbit coupling V‐MoS2 magnetic monolayers is shown.
Krishna Rani Sahoo, Manoj Talluri, Dipak Maity, Suman Mundlia, Ashique Lal, M. S. Devapriya, Arabinda Haldar, Chandrasekhar Murapaka, Tharangattu N. Narayanan   +8 more
wiley   +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

Understanding Diastereofacial Selection in Carbohydrate-Based Domino Cycloadditions: Semiempirical and DFT Calculations [PDF]

, 2000
Martı́n Ávalos, Reyes Babiano, José Bravo, Pedro Cintas, José L. Jiménez, Juan C. Palacios, María A. Silva   +6 more
openalex   +1 more source

Dual Side Chain Functionalization of Small Molecule Acceptors Affords High‐Performance Organic Solar Cells With Refined Blend Morphology

Advanced Functional Materials, EarlyView.
A new small‐molecule acceptor (SMA‐Ph‐CF3) is developed using a dual side chain functionalization strategy that incorporates trifluoromethyl and phenyl groups. This approach enables precise tuning of blend morphology, leading to the fabrication of high‐performance organic solar cells with a power conversion efficiency of 18.5%.
Shinbee Oh, Kihyun Bae, Dahyun Jeong, Tan Ngoc‐Lan Phan, Jin‐Woo Lee, Bumjoon J. Kim   +5 more
wiley   +1 more source

Understanding the Chemical and Electronic Properties of Sub‐Monolayer TiO2 on High Surface Area Silica for Jet Fuel Synthesis Applications

Advanced Functional Materials, EarlyView.
Sub‐monolayer titania grafted onto mesoporous silica enables solvent‐free photocatalytic upgrading of furfural and cyclopentanone into jet fuel precursors. Advanced spectroscopic methods reveal tunable surface speciation, acidity, and bandgaps, enhancing catalytic efficiency.
Mark A. Isaacs, Charalampos Drivas, Arthur Graf, Sasha Kroon, Santosh Kumar, Junxi Liu, Antonio Torres‐Lopez, Cameron Price, Edward Garland, Ines Lezcano‐Gonzalez, Christopher. M. A. Parlett, Vannia C. dos Santos‐Durndell, Lee J. Durndell   +12 more
wiley   +1 more source

DFT analysis: correlation of epinephrine HOMO-LUMO, refractive index, optical electronegativity, and electrical conductivity with substituted halogens (F, Cl, Br)

Конденсированные среды и межфазные границы
Purpose: Epinephrine (EP) may affect lipid and glucose metabolism in addition to haemodynamic parameters, according to a number of studies. This study’s primary goal was to provide a theoretical computer analysis of the EP molecule by including halogens ...
Rebaz Obaid Kareem
doaj   +1 more source