Results 151 to 160 of about 3,224 (219)

Unified Framework for Molecular Response Functions of Different Electronic-Structure Models. [PDF]

J Phys Chem A
Gao B, Ringholm M.
europepmc   +1 more source

Water Permeates and Plasticizes Amorphous Carbon Dots: Unraveling the Inner Accessibility of the Nanoparticles by Glass Transition Studies

Advanced Materials, EarlyView.
The water permeability of amorphous carbon dots (CDs) is demonstrated by investigating their plasticization. Novel polyamide‐based and amorphous nanoparticles are synthesized by controlling their inner packing density. Water plasticization is evidenced by the decrease of the CDs glass transition temperature with increasing the hydration degree.
Elisa Sturabotti, Valerio Di Lisio, Lucia Cardo, Alessandro Camilli, Estela Moretón Alfonsín, Daniele Cangialosi, Amaia Iturrospe Ibarra, Arantxa Arbe, Maurizio Prato   +8 more
wiley   +1 more source

Ground-State Energy Estimation on Current Quantum Hardware through the Variational Quantum Eigensolver: A Practical Study. [PDF]

J Chem Theory Comput
Belaloui NE, Tounsi A, Khamadja AR, Louamri MM, Benslama A, Bernal Neira DE, Rouabah MT.   +6 more
europepmc   +1 more source

Opportunities of Semiconducting Oxide Nanostructures as Advanced Luminescent Materials in Photonics

Advanced Materials, EarlyView.
The review discusses the challenges of wide and ultrawide bandgap semiconducting oxides as a suitable material platform for photonics. They offer great versatility in terms of tuning microstructure, native defects, doping, anisotropy, and micro‐ and nano‐structuring. The review focuses on their light emission, light‐confinement in optical cavities, and
Ana Cremades, Pedro Hidalgo, David Maestre, Ruth Martínez‐Casado, Emilio Nogales, Beatriz Rodríguez, G. Cristian Vásquez, Bianchi Méndez   +7 more
wiley   +1 more source

Spin‐Split Edge States in Metal‐Supported Graphene Nanoislands Obtained by CVD

Advanced Materials, EarlyView.
Combining STM measurements and ab‐initio calculations, we show that zig‐zag edges in graphene nanoislands grown on Ni(111) by CVD retrieve their spin‐polarized edge states after intercalation of a few monolayers of Au. ABSTRACT Spin‐split states localized on zigzag edges have been predicted for different free‐standing graphene nanostructures.
Michele Gastaldo, Masoud Mansouri, Carlos Garcia‐Fernandez, Daniel Sánchez‐Portal, Aran Garcia‐Lekue, Gustavo Ceballos, Aitor Mugarza   +6 more
wiley   +1 more source

Matrix Quantum Mechanics and Entanglement Entropy: A Review. [PDF]

Entropy (Basel)
Fliss JR, Frenkel A.
europepmc   +1 more source

Azaporphyrinoid‐Based Photo‐ and Electroactive Architectures for Advanced Functional Materials

Advanced Materials, EarlyView.
A long‐standing collaboration between the Torres and Guldi groups has yielded diverse azaporphyrinoid‐based donor‐acceptor nanohybrids with promising applications in solar energy conversion. This conspectus highlights key molecular platforms and structure‐function relationships that govern light and charge management, supporting the rational design of ...
Jorge Labella, Kobra Azizi, Dirk M. Guldi, Tomás Torres   +3 more
wiley   +1 more source

Rare Events Statistics for Z d Map Lattices Coupled by Collision. [PDF]

Commun Math Phys
Bahsoun W, Phalempin M.
europepmc   +1 more source

Science‐Towards‐Technology Breakthrough in CO2 Electroreduction: Multiphysics, Multiscale, and Artificial Intelligence Insights

Advanced Materials, EarlyView.
Electrochemical CO2RR is a key technology for converting CO2 into chemicals, but there remains a gap between “laboratory science” and “engineering practice” in current research. This review establishes a multi‐scale research framework, encompassing atomic‐level characterization, microenvironment regulation, external field‐assisted optimization, and AI ...
Ping Hong, Changfan Xu, Huaping Zhao, Yong Lei   +3 more
wiley   +1 more source

Reliability as Projection in Operator-Theoretic Test Theory: Conditional Expectation, Hilbert Space Geometry, and Implications for Psychometric Practice. [PDF]

Educ Psychol Meas
Zumbo BD.
europepmc   +1 more source