Results 161 to 170 of about 853,943 (289)

The Equilibrium Conundrum. [PDF]

Ecol Lett
Grainger TN, Stark K, Song C, Barbour MA, Germain RM.   +4 more
europepmc   +1 more source

Non-equilibrium Dynamical Mean-Field Theory [PDF]

, 2018
openaire   +1 more source

A Programmable Semiconductor Containing Active Molecular Photoswitches Located in the Crystal's Volume Phase

Advanced Functional Materials, EarlyView.
A novel approach for the design of functional semiconductors is presented, which utilizes the excellent optoelectronic properties of layered hybrid perovskites and the possibility to introduce a molecular photoswitch as the organic spacer. This concept is successfully demonstrated on a coumarin‐based system with the possibility to change the bandgap ...
Oliver Treske, Yaşar Krysiak, Hans Tornatzky, Markus R. Wagner, Sebastian Polarz   +4 more
wiley   +1 more source

Chemical Information From the Ehrenfest Force Field Based on Reduced Density Matrix Functional Theory. [PDF]

J Comput Chem
Mortera-Carbonell AJ, Hernández-Trujillo J, Francisco E, Pendás AM.   +3 more
europepmc   +1 more source

Coherent Control of Nitrogen Nuclear Spins via the VB−${\rm V}_B^-$‐Center in Hexagonal Boron Nitride

Advanced Functional Materials, EarlyView.
This study demonstrates coherent control of 15N nuclear spins coupled to VB−${\text{V}}_{\text{B}}^{-}$ centers in isotope‐enriched hexagonal boron nitride. Selective addressing via spin‐state mixing enables Rabi driving, quantum gates, and coherence times exceeding 10 μs$\umu{\rm s}$.
Adalbert Tibiássy, Charlie J. Patrickson, Thomas Poirier, James H. Edgar, Bruno Lopez‐Rodriguez, Viktor Ivády, Isaac J. Luxmoore   +6 more
wiley   +1 more source

Halogen Bonds under Electric Field with Quantum Accuracy and Relativistic Basis Sets. [PDF]

J Phys Chem A
Ottanà G, Mastronardo S, Eminger P, Mráziková K, Trusso S, Saija F, Ferus M, Monsù Scolaro L, Xie J, Tommasini M, Cassone G.   +10 more
europepmc   +1 more source

Heteroatom‐Engineering Promoted Co9S8 Bi‐functional Electrocatalyst for Hydrazine‐Assisted Hydrogen Production at Industrial Current Density

Advanced Functional Materials, EarlyView.
Fe and P co‐doped Co9S8 nanocorals (Fe, P‐Co9S8) are successfully synthesized by a heteroatom engineering strategy, which exhibit outstanding bifunctional electrocatalytic performance for both the hydrogen evolution reaction (HER) and hydrazine oxidation reaction (HzOR).
Yuying Meng, Chunyan Xiang, Wenbiao Zhang, Dahai Zeng, Bing Du, Bao Zhong, Yue Jiang, Damien Voiry, Qingsheng Gao   +8 more
wiley   +1 more source

A five-dimensional classical framework for gravitational and quantum phenomena. [PDF]

Sci Rep
Strubbe F.
europepmc   +1 more source

Universal Electronic‐Structure Relationship Governing Intrinsic Magnetic Properties in Permanent Magnets

Advanced Functional Materials, EarlyView.
Permanent magnets derive their extraordinary strength from deep, universal electronic‐structure principles that control magnetization, anisotropy, and intrinsic performance. This work uncovers those governing rules, examines modern modeling and AI‐driven discovery methods, identifies critical bottlenecks, and reveals electronic fingerprints shared ...
Prashant Singh
wiley   +1 more source

Controlling the size of nanoparticles using a magnetic field: a sphere packing approach. [PDF]

Sci Rep
Tawalbeh Y, Ghazi M, Pereira MF.
europepmc   +1 more source