Results 271 to 280 of about 611,383 (325)

Engineering a Spin‐Orbit Bandgap in Graphene‐Tellurium Heterostructures

Advanced Functional Materials, EarlyView.
Tellurium intercalation in epitaxial graphene on Ir(111) enables the emergence of a spin–orbit‐induced bandgap with energy spin splitting. By combining STM, ARPES, spin‐resolved ARPES, and DFT, two structural phases are identified, both exhibiting tunable electronic doping.
Beatriz Muñiz Cano, Fabián Calleja, Daniela Pacilè, Marc G. Cuxart, Michele Pisarra, Antonello Sindona, Fernando Martín, Elena Salagre, Pilar Segovia, Enrique G. Michel, Amadeo. L. Vázquez de Parga, Rodolfo Miranda, Julio Camarero, Manuela Garnica, Miguel Angel Valbuena   +14 more
wiley   +1 more source

Biodegradable, Humidity‐Insensitive Mask‐Integrated E‐Nose for Sustainable and Non‐Invasive Continuous Breath Analysis

Advanced Functional Materials, EarlyView.
This study introduces a paper‐based biodegradable, humidity‐insensitive e‐nose for real‐time breath analysis, addressing challenges in existing technologies such as humidity interference, high costs, and environmental impact. Featuring hydrophobic polymer coatings, these sensors reliably detect VOCs even in high‐moisture environments.
Indrajit Mondal, Adan Zoabi, Hossam Haick   +2 more
wiley   +1 more source

Optical Control of the Thermal Conductivity in BaTiO3

Advanced Functional Materials, EarlyView.
Light‐driven manipulation of thermal conductivity in archetypal ferroelectric, BaTiO3, offers a novel and effective approach for the dynamical control of the heat flux, with potential applications in thermal management and phonon‐based logic. Abstract Achieving dynamic control over thermal conductivity remains a formidable challenge in condensed matter
Claudio Cazorla, Carlos Escorihuela‐Sayalero, Jesús Carrete, Jorge Íñiguez‐González, Riccardo Rurali   +4 more
wiley   +1 more source

Oxygen Defect Engineering of Hexagonal Perovskite Oxides to Boost Catalytic Performance for Aerobic Oxidation of Sulfides to Sulfones

Advanced Functional Materials, EarlyView.
Ru‐substituted hexagonal perovskite SrMnO3, featuring face‐shared oxygen species, is designed as an effective heterogeneous catalyst for the aerobic oxidation of sulfides. The catalyst demonstrates high selectivity to sulfones (>99%) under mild reaction conditions (≥30 °C). Ru substitution promotes oxygen vacancy formation of face‐shared oxygen species
Keiju Wachi, Masashi Makizawa, Takeshi Aihara, Shin Kiyohara, Yu Kumagai, Keigo Kamata   +5 more
wiley   +1 more source

Understanding and Optimizing Li Substitution in P2‐Type Sodium Layered Oxides for Sodium‐Ion Batteries

Advanced Functional Materials, EarlyView.
This work explores Li‐substituted P2 layered oxides for Na‐ion batteries by crystallographic and electrochemical studies. The effect of lithium on superstructure orderings, on phase transitions during synthesis and electrochemical cycling and on the interplay of O‐ versus TM‐redox is revealed via various advanced techniques, including semi‐simultaneous 
Mingfeng Xu, Giovanni Gammaitoni, Michael Häfner, Eduardo Villalobos‐Portillo, Carlo Marini, Matteo Bianchini   +5 more
wiley   +1 more source

Spectroelectrochemical Determination of Förster Radii for Triplet‐Polaron Quenching in Phosphorescent Organic Light‐Emitting Diodes

Advanced Functional Materials, EarlyView.
Phosphorescent OLEDs suffer from efficiency roll‐off due to triplet‐polaron quenching (TPQ). This study demonstrates for a large set of host‐guest combinations a spectroelectrochemical method to measure the absorption of charged molecules, enabling determining TPQ Förster radii (2.5–4 nm) from the spectral overlap.
Stan E. A. Jaspars, Hiroki Tomita, Clint van Hoesel, Nicolas Daub, René A.J. Janssen, Reinder Coehoorn   +5 more
wiley   +1 more source

Patterned Assembly of Transition Metal Dichalcogenide/Graphene Heterostructures via Direct Laser Writing

Advanced Functional Materials, EarlyView.
The fabrication of patterned transition metal dichalcogenide (TMD)/graphene heterostructures via direct laser writing reveals new interface chemistry and enables efficient, customizable assembly. Selective laser irradiation of functionalized TMD/graphene triggers localized reactions, forming chemically modified interfaces.
Xin Chen, Stefan Wolff, Sofiia Zuieva, Robert Schusterbauer, Rida Shaikh, Christian E. Halbig, Anton Habel, Roland Gillen, Kathrin C. Knirsch, Ievgen Donskyi, Siegfried Eigler, Janina Maultzsch, Andreas Hirsch   +12 more
wiley   +1 more source

Sono‐Piezo‐Photosynthesis of Ethylene and Acetylene from Bioethanol under Ambient Conditions

Advanced Functional Materials, EarlyView.
A novel sono‐piezo‐photocatalytic strategy enables the conversion of bioethanol to ethylene (C2H4) and acetylene (C2H2) under ambient conditions, addressing the limitations of conventional methods that are high‐temperature and energy‐intensive. By using an advanced graphene oxide/sodium bismuth titanate heterostructure catalyst, this work achieved ...
Yue Jiang, Jiajun Zhang, Hongyang Ma, Shujie Zhou, Hsun‐Yen Lin, Sajjad S. Mofarah, Mark Lockrey, Teng Lu, Hangjuan Ren, Xiaoran Zheng, Maichael Gunawan, Suchen Huang, Yu‐Chun Huang, Fenglin Zhuo, Dali Ji, Judy N. Hart, Yun Liu, Jyh Ming Wu, Muthupandian Ashokkumar, Danyang Wang, Pramod Koshy, Charles C. Sorrell   +21 more
wiley   +1 more source

Session Computational Chemistry

CHIMIA
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Chemistry on the computer

Physics Today, 2008
Although exact descriptions of the quantum mechanics of molecules are computationally intractable, chemists and physicists have devised approximations that are efficient enough to be practical and accurate enough to be useful.
Martin Head-Gordon, Emilio Artacho
openaire   +2 more sources