Results 101 to 110 of about 9,476 (210)

From brush conformation to 3D Supraparticles: Programmable self‐assembly of polymer‐grafted nanoparticles in emulsion confinement

Bulletin of the Korean Chemical Society, EarlyView.
This review highlights how the conformational adaptability of polymer‐grafted nanoparticles drives their programmable self‐assembly within 3D emulsion droplets. By coupling brush thermodynamics with soft confinement, these dynamic building blocks form hierarchical supraparticles tailored for advanced plasmonics, compartmentalized catalysis, and stimuli‐
Hongseok Yun
wiley   +1 more source

"Ammonia Induced Framework Transformations and Spin-Crossover in Fe(II) Hofmann MOFs". [PDF]

Inorg Chem
Pacheco M, Jesuman A, Maqueda-Márquez H, González-Platas J, Gaspar AB.   +4 more
europepmc   +1 more source

Ruthenium‐Titania Interface‐Mediated Water Activation for High Turnover Frequency in Alkaline Hydrogen Evolution

Carbon Energy, EarlyView.
Heterostructured interfaces can accelerate hydrogen evolution by improving water dissociation, yet their underlying mechanisms remain unclear. This study combines in situ Raman spectroscopy and density functional theory to reveal how the RuO2/TiO2 interface promotes both water dissociation and hydrogen adsorption, providing new insights into the ...
Dwi Sakti Aldianto Pratama, Andi Haryanto, Hyun Woo Lim, Chan Woo Lee   +3 more
wiley   +1 more source

4D-Printed Spin Crossover Metamaterials with Giant Programmable Positive or Negative Thermal Expansion. [PDF]

Adv Mater
Trapali A, Zhang Y, Alavi SE, Mawassy N, Zulkarnain R, Molnár G, Salmon L, Bousseksou A.   +7 more
europepmc   +1 more source

T½ Tuning in a Synergistic BODIPY‐Tetrazole Fe(II) Spin‐Crossover‐Photoluminescence System via Co‐Ligand Variation

Chemistry – A European Journal, EarlyView.
We report a modular spin crossover‐photoluminescence (SCO‐PL) system: heteroleptic, mononuclear Fe(II) coordination compounds bearing equatorial BODIPY fluorophores that exhibit synergistic PL response upon spin state switching. Exchanging apical nitrile co‐ligands tunes electronic and structural properties, giving precise control over the SCO and PL ...
Martin Huber, Matthias Schöbinger, Berthold Stöger, Michael Reissner, Peter Weinberger   +4 more
wiley   +1 more source

Wrapping a single crystal spin-crossover complex with a single crystal non-spin-crossover complex to modulate the spin-transition temperature. [PDF]

Chem Sci
Fukui T, Tsuchiya M, Mita N, Fukushima T.   +3 more
europepmc   +1 more source

The Future of Foundation Machine Learning Potentials and DFT in Homogeneous Catalysis: Competition or Synergy?

Chemistry – A European Journal, EarlyView.
Machine‐learning potentials are increasingly taking on the exploratory tasks of homogeneous catalysis, enabling rapid conformer sampling and reaction‐space mapping. However, when selectivity depends on subtle electronic effects, electronic‐structure methods remain essential.
Maxime Ferrer, Julen Munarriz, Thijs Stuyver, Ruben Laplaza   +3 more
wiley   +1 more source

Hybrid machine learning and genetic algorithm approach for catalyst and process optimization in Fischer–Tropsch synthesis toward sustainable fuel production

The Canadian Journal of Chemical Engineering, EarlyView.
Graphical representation of a data‐driven framework for Fischer‐Tropsch synthesis (FTS) modelling and optimization. Abstract This study presents a data‐driven approach for predicting the relationships between catalyst design, process conditions, and product selectivity in Fischer–Tropsch synthesis (FTS).
Doaa M. Hassan, Ryan Gosselin, Nicolas Abatzoglou   +2 more
wiley   +1 more source

Quenching the Hubbard Model: Comparison of Nonequilibrium Green's Function Methods

Contributions to Plasma Physics, EarlyView.
ABSTRACT We benchmark nonequilibrium Green's function (NEGF) approaches for interaction quenches in the half‐filled Fermi–Hubbard model in one and two dimensions. We compare fully self‐consistent two‐time Kadanoff–Baym equations (KBE), the generalized Kadanoff–Baym ansatz (GKBA), and the recently developed NEGF‐based quantum fluctuations approach (NEGF‐
Jan‐Philip Joost, Christopher Makait, Alexander Osterkorn, Erik Schroedter   +3 more
wiley   +1 more source

Unveiling Spin Transition at Single-Particle Level in Levitating Spin Crossover Nanoparticles. [PDF]

ACS Nano
Pinilla-Cienfuegos E, Mascaró-Burguera L, Torres-Cavanillas R, Echavarría JI, Regueiro A, Coronado E, Hernandez-Rueda J.   +6 more
europepmc   +1 more source