Results 151 to 160 of about 2,403,076 (339)

Kinetic Insights into Precursor‐Assisted Soft Sphere Close Packing Revealed by In Situ GISAXS with Implications for Gas Sensing

Advanced Functional Materials, EarlyView.
The versatile precursor‐assisted soft sphere close packing during slot‐die coating is investigated with in situ X‐ray scattering. The soft crystallization pathways towards a close packing involve multistep structural transitions such as surface nucleation, in‐plane, and out‐of‐plane crystallization.
Guangjiu Pan, Wenhe Xie, Suzhe Liang, Ting Tian, Shanshan Yin, Lixing Li, Altantulga Buyan‐Arivjikh, Jinsheng Zhang, Thomas Baier, Zhuijun Xu, Matthias Schwartzkopf, Sarathlal Koyiloth Vayalil, Stephan V. Roth, Yonghui Deng, Peter Müller‐Buschbaum   +14 more
wiley   +1 more source

DFT Meets Wave-Function Composite Methods for Characterizing Cytosine Tautomers in the Gas Phase. [PDF]

J Chem Theory Comput, 2023
Barone V.
europepmc   +1 more source

Bimetallic Nanoparticles as Cocatalysts for Photocatalytic Hydrogen Production

Advanced Functional Materials, EarlyView.
Recent developments have introduced bimetallic nanoparticles as effective cocatalysts for photocatalytic systems. This review explores the rapidly expanding research on bimetallic cocatalysts for photocatalytic production of hydrogen, emphasizing the creation of carrier‐selective contacts, localized surface plasmon resonance effects, methodologies for ...
Yufen Chen, Asier Agrelo‐Lestón, Ignasi Burgués‐Ceballos, Jordi Llorca, Lluís Soler   +4 more
wiley   +1 more source

Complex Linear Response Functions for a Multiconfigurational Self-Consistent Field Wave Function in a High Performance Computing Environment. [PDF]

J Chem Theory Comput, 2023
Scott M, Delcey MG.
europepmc   +1 more source

Printed Integrated Logic Circuits Based on Chitosan‐Gated Organic Transistors for Future Edible Systems

Advanced Functional Materials, EarlyView.
Edible electronics needs integrated logic circuits for computation and control. This work presents a potentially edible printed chitosan‐gated transistor with a design optimized for integration in circuits. Its implementation in integrated logic gates and circuits operating at low voltage (0.7 V) is demonstrated, as well as the compatibility with an ...
Giulia Coco, Valerio Francesco Annese, Valerio Galli, Ilaria Penna, Debora Russo, Marina Veronesi, Rita Scarpelli, Stefania Sabella, Mario Caironi   +8 more
wiley   +1 more source

Are Accelerated and Enhanced Wave Function Methods Accurate to Compute Static Linear and Nonlinear Optical Properties? [PDF]

J Chem Theory Comput, 2023
Naim C, Besalú-Sala P, Zaleśny R, Luis JM, Castet F, Matito E.   +5 more
europepmc   +1 more source

Physical Nature of Critical Wave Functions in Fibonacci Systems [Phys. Rev. Lett. 76, 2957 (1996)] [PDF]

, 1997
Enrique Maciá, F. Domı́nguez-Adame
openalex   +1 more source

Modulating Two‐Photon Absorption in a Pyrene‐Based MOF Series: An In‐Depth Investigation of Structure–Property Relationships

Advanced Functional Materials, EarlyView.
This study investigates H4TBAPy‐based metal–organic frameworks (MOFs) ‐ NU‐1000, NU‐901, SrTBAPy, and BaTBAPy ‐ for multiphoton absorption (MPA) performance. It observes topology‐dependent variations in the 2PA cross‐section, with BaTBAPy exhibiting the highest activity.
Simon N. Deger, Helmy Pacheco Hernandez, Yang Cui, Hongxing Hao, Vanessa Ramm, David C. Mayer, Khai‐Nghi Truong, Roland A. Fischer, Jürgen Hauer, Mariana Kozlowska, Alexander Pöthig   +10 more
wiley   +1 more source

Wavelength‐Dependent Differential Amplification of Raman Scattering by Chiral Gold Nanorods for Multiplexed Encoding

Advanced Functional Materials, EarlyView.
The SERS spectra of reporter molecules adsorbed on chiral gold nanorods depends on the handedness of circularly polarized light (CPL‐SERS). The bisignate plasmonic CD spectra of chiral nanorods provides wavelength‐dependent CPL‐SERS. Selective discrimination of chiral nanorod handedness and different Raman reporters allow highly sensitive codification ...
Andrés Serrano‐Freijeiro, Carlos Renero‐Lecuna, Manuel Obelleiro‐Liz, Víctor F. Martín, Diptesh Dey, José M. Taboada, George C. Schatz, Isabel Pastoriza‐Santos, Jorge Pérez‐Juste, Luis M. Liz‐Marzán   +9 more
wiley   +1 more source

Accuracy Meets Feasibility for the Structures and Rotational Constants of the Molecular Bricks of Life: A Joint Venture of DFT and Wave-Function Methods. [PDF]

J Phys Chem Lett, 2023
Barone V.
europepmc   +1 more source