Results 181 to 190 of about 3,650 (244)

Accurate and Affordable Vibrational Spectra of Large Molecules: Primary, Auxiliary, and Spectator Modes in a Perturb-then-Diagonalize Framework. [PDF]

J Chem Theory Comput
Barone V, Lazzari F, Mendolicchio M.
europepmc   +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

Energy Shifts in Predissociating Levels of Diatomic Molecules: The Case of N₂ (C ″⁵Π _<i>u</i> ) and N₂ (1 ⁷Σ _<i>u</i> ⁺) Interacting States. [PDF]

ACS Omega
Ventura LR, da Silva RS, Souza SR, Amorim J, Fellows CE.   +4 more
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

Electrical oscillations in microtubules. [PDF]

Sci Rep
Mohsin M, Cantiello HF, Cantero MDR, Marucho M.   +3 more
europepmc   +1 more source

Liquid Metal Microrobots for Magnetically Guided Transvascular Navigation

Advanced Materials, EarlyView.
Liquid metal‐based microrobots combine magnetic steering, intrinsic X‐ray visibility and softness, to navigate blood vessels even against flow. Under clinically relevant magnetic fields, liquid metal microrobots roll along vessel walls, cross endothelial barriers, and accumulate in target tissues.
Xiaohui Ju, Roshan Velluvakandy, Xianghua Wu, Miguel Angel Merlos Rodrigo, Zbyněk Heger, Kamila Bendíčková, Jan Frič, Martin Pumera   +7 more
wiley   +1 more source

Elastically induced phase-shift and birefringence in optical fibers. [PDF]

Open Res Eur
Steininger E, Mieling T, Chruściel PT.
europepmc   +1 more source

Gapless Superconductivity From Extremely Dilute Magnetic Disorder in 2H‐NbSe2‐xSx

Advanced Materials, EarlyView.
We demonstrate that 2H‐NbSe2‐xSx hosts gapless superconductivity at unexpectedly low magnetic impurity concentrations. Combining STM, Bogoliubovde Gennes simulations, DFT, and quasiparticle interference, we comprehensively study the development of gapless behavior and show that SeS substitution reshapes the band structure, enhances nesting, and drives ...
Jose Antonio Moreno, Mercè Roig, Víctor Barrena, Edwin Herrera, Alberto M. Ruiz, Samuel Mañas‐Valero, Antón Fente, Anita Smeets, Jazmín Aragón, Yanina Fasano, Beilun Wu, Maria N. Gastiasoro, Eugenio Coronado, José J. Baldoví, Brian M. Andersen, Isabel Guillamón, Hermann Suderow   +16 more
wiley   +1 more source

Accuracy and Limitations of the Pair-Selected Multilevel Approach for DLPNO Coupled Cluster: Extensive Benchmark for Closed-Shell Organic Reactions. [PDF]

Chemphyschem
Gurav N, Ramez N, Lampe L, Neugebauer J.
europepmc   +1 more source

Single‐Chromophore Homojunction Organic Solar Cells: A Path to Simplicity and Efficiency

Advanced Materials, EarlyView.
This perspective discusses how the intrinsic optoelectronic properties of organic semiconductors, their molecular packing in the solid‐state, and internal energetic gradients within a device can enable free‐charge carrier generation in homojunction organic solar cells.
Shaun McAnally, Paul L. Burn, Paul E. Shaw   +2 more
wiley   +1 more source