Results 151 to 160 of about 35,931 (264)

Integrated Experimental and Theoretical Insights into Defect‐Induced Functionalities of Cobalt Doped NiO for Multifunctional Solar‐Driven Applications

Advanced Energy and Sustainability Research, EarlyView.
Rational defect engineering in Co‐doped NiO nanostructures, synthesized via a sustainable green route, enables precise bandgap modulation and defect‐state tailoring. Combined experimental–density functional theory analysis identifies 15% Co doping as the optimal threshold for maximizing photocatalytic degradation, photothermal response, and hydrogen ...
Sumayya M. Ansari, Hessa Alashkhari, Meira Alabdouli, Zahra Alzadjali, Sara Almuhairi, Narender Kumar, Naveen Kosar, Tariq Mahmood, Adnan Younis   +8 more
wiley   +1 more source

Dynamical spin susceptibility and magnetic ordering in a square-octagon lattice in the Hubbard model. [PDF]

Sci Rep
Abdi M, Astinchap B, Norian E.
europepmc   +1 more source

Band‐Edge Engineering of BiFeO3–KTaO3 Solid Solutions toward Efficient Solar Hydrogen Production

Advanced Energy and Sustainability Research, EarlyView.
This study reports BiFeO3–KTaO3 solid solutions as efficient photocathodes for solar hydrogen production. Combining experiments with density functional theory, the authors demonstrate composition‐driven band‐edge tuning, achieving high photocurrent density and hydrogen generation rates.
Yassine Nassereddine, Manal Benyoussef, Bouchra Asbani, Nitul Rajput, Mimoun El Marssi, Mustapha Jouiad   +5 more
wiley   +1 more source

Tracking the Complex Dynamics of Electron-Transfer-Mediated Decay in Real Space and Time. [PDF]

J Am Chem Soc
Trinter F, Hofierka J, Rist J, Kircher M, Weller M, Melzer N, Tsitsonis D, Geyer A, Kruse J, Kastirke G, Williams JB, Miteva T, Dörner R, Schöffler MS, Kunitski M, Sisourat N, Cederbaum LS, Jahnke T.   +17 more
europepmc   +1 more source

Information Dense and Industry Scalable Accelerated Formation

Advanced Intelligent Discovery, EarlyView.
Pulsed formation can reduce lithium‐ion battery formation time by over 50% while maintaining or enhancing performance. Validated on 25 Ah prismatic cells, this industry‐scalable method yields thinner, more homogeneous solid electrolyte interphases (SEIs).
Leon Merker, Markus Blessing, Bojing Zhang, Helge Sören Stein   +3 more
wiley   +1 more source

Capturing coherent pseudorotation through conical intersection in photoionized benzene. [PDF]

Nat Commun
Liu Z, Zhang M, Zhou T, Li X, Zhou S, Wu L, Yang Y, Zhou J, He L, Zhang D, Ren X, Kuleff AI, Vendrell O, Ueda K, Li Z, Ding D, Wang C.   +16 more
europepmc   +1 more source

What to Make and How to Make It: Combining Machine Learning and Statistical Learning to Design New Materials

Advanced Intelligent Discovery, EarlyView.
Combining machine learning and probabilistic statistical learning is a powerful way to discover and design new materials. A variety of machine learning approaches can be used to identify promising candidates for target applications, and causal inference can help identify potential ways to make them a reality.
Jonathan Y. C. Ting, Amanda S. Barnard
wiley   +1 more source

Heteroatomic Andreev Molecule in a Superconducting Island-Double Quantum Dot Hybrid. [PDF]

Nano Lett
Kürtössy O, Bodócs M, Moca CP, Scherübl Z, Nikodem E, Kanne T, Nygård J, Zaránd G, Makk P, Csonka S.   +9 more
europepmc   +1 more source

Interpretable Machine Learning for Solvent‐Dependent Carrier Mobility in Solution‐Processed Organic Thin Films

Advanced Intelligent Discovery, EarlyView.
This work establishes a correlation between solvent properties and the charge transport performance of solution‐processed organic thin films through interpretable machine learning. Strong dispersion interactions (δD), moderate hydrogen bonding (δH), closely matching and compatible with the solute (quadruple thiophene), and a small molar volume (MolVol)
Tianhao Tan, Lian Duan, Dong Wang
wiley   +1 more source

Closed-form spin-relativistic corrections from the Dirac equation enabling a modified Schrödinger solver. [PDF]

Sci Rep
Amaro MB, Nazeef, Dussech CJ, Qi C.
europepmc   +1 more source