Results 101 to 110 of about 43,553 (307)

Magnetic‐Field Control of Surface States in CoFe2O4 Thin Films for Nitrate Electroreduction to Ammonia

Advanced Functional Materials, EarlyView.
Magnetic‐field‐assisted CVD of heterometallic single‐source precursors modulates thin‐film surface electronic structure and interfacial charge transfer. Field‐grown (Cobalt ferrite‐1T)CF‐1T films exhibit stabilized electronic states, lower kinetic barriers, and markedly enhanced nitrate‐to‐ammonia electrocatalysis versus (Cobalt ferrite‐0T) CF‐0T ...
Touraj Karimpour, Younes Mousazade, Simon Diel, Shilendra Kumar Sharma, Tisita Das, Nathália C. Verissimo, Thomas Fischer, Ziyaad Aytuna, Andreas Lichtenberg, Sudip Chakraborty, Marcel Risch, Sanjay Mathur   +11 more
wiley   +1 more source

High methane storage capacity of porous carbon nitride fullerenes decorated with transition metals: A DFT investigation

Results in Chemistry
This investigation employs DFT calculations to examine the potential of transition metal-decorated porous carbon nitride fullerenes CH4 storage. Ab initio molecular dynamics simulations confirm the structural stability of the decorated fullerenes.
Mehdi D. Esrafili
doaj   +1 more source

Ultrasmall High‐Entropy Materials: Nanoscale Effects, Synthesis, and Mechanistic Insights

Advanced Functional Materials, EarlyView.
This review article focuses on sub‐10 nm high‐entropy materials that combine nanoscale design with complex compositions for next‐generation applications. ABSTRACT Ultrasmall high‐entropy nanomaterials (USHENMs, <10 nm) merge multicomponent chemistry with size‐dependent effects, forming a distinct class of materials with unprecedented properties.
Yueyue He, Wenbo Wang, Simon Schweidler, Yanjiao Ma, Ben Breitung, Torsten Brezesinski   +5 more
wiley   +1 more source

Electroweak quantum chemistry: Parity violation in spectra of chiral molecules containing heavy atoms

, 2012
The intriguing effects of electroweak induced parity violation (PV) in molecules have yet to be observed, but experiments on molecular PV promise to provide fascinating insights.
Nahrwold, Sophie
core  

Photostop [PDF]

, 2013
The use of photodissociation to produce cold, slow molecules from a molecular beam of cold, fast molecules is dubbed “photostop”. The essence of the scheme is thus: a pulsed molecular beam of a precursor molecule AB seeded in a noble carrier gas is ...
ROWLAND, ADRIAN,MURRAY
core  

A Dual‐Functional Electrolyte Additive for Highly Reversible Zinc‐Ion Batteries

Advanced Functional Materials, EarlyView.
This study introduces tetrabutylammonium bromide (TBAB) as a dual‐function additive for aqueous zinc‐ion batteries. TBAB disrupts the hydrogen‐bond network of water while TBA+ adsorbs on Zn to improve interfacial wettability and regulate Zn2+ flux, resulting in suppressed dendrite growth and parasitic reactions. This synergy extended the lifespan of Zn|
Shirui Zhang, Shixun Wang, Jianen Zhang, Jun Liu, Jinfeng Xie, Wentao Tang, Li Guan, He Huang, Qi Xue, Chunyi Zhi   +9 more
wiley   +1 more source

Maximally localized Wannier functions: Theory and applications [PDF]

, 2012
16/01/13 meb.
Ivo Souza, Mostofi, AA, Arash A. Mostofi, Yates, JR, David Vanderbilt, Yates, Jonathan R., Marzari, Nicola, Souza, Ivo, Souza, I, Vanderbilt, D, Yates, Jonathan, Vanderbilt, David, Nicola Marzari, Jonathan R. Yates, Mostofi, Arash A., Marzari, N   +15 more
core   +1 more source

Unified Analytical Framework for Understanding the Operational Stability of Blue Phosphorescent OLEDs: Quantitative Insights Into Exciton Recycling and Bimolecular Interactions

Advanced Functional Materials, EarlyView.
Blue phosphorescent OLEDs remain limited by poor operational stability. Here, a unified analytical framework integrating transient photoluminescence and magneto‐electroluminescence is developed to correlate intrinsic material photophysics with electrically driven degradation.
Hakjun Lee, Bum June Park, Taekyung Kim
wiley   +1 more source

Equilibrium Structures of Propane and 2,2-Difluoropropane and Comparison with Other Two-Top Molecules

Molecules
The Born–Oppenheimer ab initio equilibrium structures of propane (CH3)2CH2 and 2,2-difluoropropane (CH3)2CF2 were computed at the CCSD(T) level of theory using a basis set of quadruple zeta quality.
Jean Demaison, Natalja Vogt, Agnès Perrin   +2 more
doaj   +1 more source

Alternative techniques for the production and manipulation of ultracold atoms

, 2012
This Thesis contains details of the construction and characterisation of a compact apparatus for the cooling of ultracold atoms to quantum degeneracy, and their manipulation in flexible holographic optical traps. We have designed and built two iterations
Bruce, Graham D.
core