Results 271 to 280 of about 469,777 (370)

Luminescent Trityl-based Diradicaloids: A Theoretical and Experimental Assessment of Charge-Resonance in Low-Lying Excited States. [PDF]

Chemistry
Mesto D, Orza M, Bardi B, Punzi A, Ratera I, Veciana J, Farinola G, Painelli A, Terenziani F, Blasi D, Negri F.   +10 more
europepmc   +1 more source

Mie‐Resonant Metasurfaces with Controlled Silicon Oxidation in Electron‐Beam Deposition

Advanced Materials Interfaces, EarlyView.
Electron‐beam deposition is optimized to prevent silicon oxidation by controlling chamber pressure and deposition rate, yielding refractive index values comparable to other methods. This tunability enables precise control of optical properties. Mie‐resonant metasurfaces exhibit strong, tunable collective resonances, allowing the fabrication of silicon ...
Neal Raney, Viktoriia E. Babicheva
wiley   +1 more source

On the Meaning of De-Excitations in Time-Dependent Density Functional Theory Computations. [PDF]

J Comput Chem
Plasser F.
europepmc   +1 more source

Unraveling the Nanoscale Structure of Organic–Inorganic Hybrid Materials

Advanced Materials Interfaces, EarlyView.
A Si‐wafer‐based NPs@SILP system facilitates detailed characterization of spatial structure and interactions between ionic liquid molecules and nanoparticles. The approach yields a uniform ionic liquid monolayer decorated with evenly distributed Ru nanoparticles, showing particle deposition disturbs the SILP's conformational order.
Jacob Johny, Savarithai Jenani Louis Anandaraj, Carolin Mehrmann, Xin Wei, Ankita Das, Niklas Scheer, Yuke Yang, Walid Hetaba, Petra Ebbinghaus, Ulrich Simon, Rüdiger‐A. Eichel, Florian Hausen, Holger Uphoff, Hans‐Christoph Mertins, R. Kramer Campen, Yujin Tong, Martin Rabe, Walter Leitner, Alexis Bordet, Marc Frederic Tesch   +19 more
wiley   +1 more source

Theoretical investigation of the A¹Π-X¹Σ⁺, B¹Σ⁺-X¹Σ⁺, C¹Σ⁺-X¹Σ⁺, and E¹Π-X¹Σ⁺ transitions of the CO molecule.

Phys Chem Chem Phys
Khalil M, Mahmoud S, Brady RP, Almehairbi M, Gacesa M, Yurchenko SN, Tennyson J, Al Ghaferi A, El-Kork N.   +8 more
europepmc   +1 more source

Transition (Dipole) Moment

, 2016
J. W. Verhoeven
openalex   +2 more sources

Selective Transparent Contacts Based on a Hafnium‐Titanium Oxide Alloy with Optimized Band Alignment for c‐Si Solar Cells

Advanced Materials Interfaces, EarlyView.
This study explores the synthesis and properties of hafnium‐titanium oxide (HTO) alloys developed by low‐temperature atomic layer deposition (ALD) as selective contacts for crystalline silicon solar cells. X‐ray photoelectron spectroscopy (XPS), surface photovoltage (SPV), and ellipsometry are employed to estimate the band alignment at the c‐Si/HTO ...
Charif Tamin, Céline Chevalier, Anil Kumar Bharwal, Claude Botella, Thomas Fix, Alain Fave, Erwann Fourmond   +6 more
wiley   +1 more source

Search for Correlations Between the Results of the Density Functional Theory and Hartree-Fock Calculations Using Neural Networks and Classical Machine Learning Algorithms. [PDF]

ACS Omega
Normatov S, Nesterov PV, Aliev TA, Timralieva AA, Novikov AS, Skorb EV.   +5 more
europepmc   +1 more source

Zinc Chalcogenide Based Shell Layers for Colloidal Quantum Wells

Advanced Materials Interfaces, EarlyView.
A new synthetic route is developed for the synthesis of CdSe/ZnSe/ZnS multi‐shell nanoplatelets (NPLs) with emissions between 615 and 630 nm and photoluminescence quantum yields up to 90%. Control over the lateral size of the starting CdSe core enabled the narrowing of the emission linewidth to 20 nm.
Cagatay Han Aldemir, Ahmet Faruk Yazici, Nehir Ergezer, Taha Can Korkmaz, Evren Mutlugun, Yusuf Kelestemur   +5 more
wiley   +1 more source

Design of C₂₄ fullerene-based sensors for gamma-butyrolactone detection as advanced tools for biomedical and pharmaceutical applications. [PDF]

Sci Rep
Huwaimel B, Alqarni S.
europepmc   +1 more source