Results 211 to 220 of about 1,216,806 (296)

High‐Efficiency Quantum Defect Generation in Carbon Nanotubes via Oxygen‐Free Photochemistry

Advanced Functional Materials, EarlyView.
We show that oxygen plays an important role in quantum defect formation in carbon nanotubes and identify reaction conditions to create a range of different quantum defects for photonics and biosensing. ABSTRACT Single‐walled carbon nanotubes (SWCNTs) offer potential for a wide range of applications from optoelectronic devices to biomedical diagnostics.
Christina Derichsweiler, Valeriia D. Andreeva, Jan Stegemann, Julia Ackermann, Janus A. C. Wartmann, Svenja Herbertz, Sebastian Kruss   +6 more
wiley   +1 more source

Entropy Regularization in the Mean-Field Free-Energy Machine for Combinatorial Optimization. [PDF]

Entropy (Basel)
Gao W.
europepmc   +1 more source

XTRUDE: A Process‐Informed Framework for High‐Fidelity Analysis of Hydrogel Extrusion

Advanced Functional Materials, EarlyView.
Extrusion performance emerges from the interplay between material properties and processing conditions. XTRUDE (eXTrusion Rheology for Understanding and Defining Extrudability) recreates the extrusion environment with in situ pressure and temperature sensing, enabling characteristic pressure signatures to quantify extrusion‐specific phenomena and ...
Farhad Sanaei, Pascal Bertsch, Juliette Lafosse, Sander C. G. Leeuwenburgh, Mani Diba   +4 more
wiley   +1 more source

Symmetry-Adapted Relaxation Theory (SART): Variational Embedding for Convergent Infinite-Order Induction without Overpolarization. [PDF]

J Chem Theory Comput
Dihingia H, Tyrcha B, Vanich E, Patkowski K, Misquitta AJ, Żuchowski PS.   +5 more
europepmc   +1 more source

Engineering a Fluorinated AlPO4 Interface: Toward High Initial Coulombic Efficiency and Stable Oxygen Redox in Li‐Rich Layered Oxide Cathodes

Advanced Functional Materials, EarlyView.
We report a chemically incorporated fluorinated AlPO4 (AlPO4‐F) architecture that functions as a multifunctional “interfacial fortress” for Li‐rich layered oxides (LLOs). By modulating the surface potential to –32.16 mV, this architecture enriches Li+ concentration and repels detrimental electrolyte anions.
Hojun Moon, Harim Jeong, Younghwon Kim, Buseong Kim, Geunhyeong Kim, Suyeon Lee, Jeongjin Lee, Joonwoo Kim, Jemin Lee, Youngsoo Kim, Young‐Il Kim, Dae Won Cho, Jeeyoung Yoo, Misook Kang   +13 more
wiley   +1 more source

Toward High-Throughput Virtual Screening via Quasi-Adiabatic Quantum Geometry Optimization Workflow. [PDF]

J Chem Theory Comput
Masci LU, Tarocco F, Bonanni D, Barbieri M, Rizzo S, Beccari AR, Guidoni L.   +6 more
europepmc   +1 more source

Unified Pressure and Field Response Across Distinct Charge‐Order Regimes in Ti‐Doped CsV3Sb5

Advanced Functional Materials, EarlyView.
We microscopically investigate the interplay between charge order and superconductivity in a kagome superconductor across regimes of long‐ and short‐range charge order. Hydrostatic‐pressure and magnetic‐field μSR$\mu{\rm SR}$ measurements reveal remarkably similar superconducting and normal‐state time‐reversal‐symmetry‐breaking responses in both ...
P. Kral, S.S. Islam, Andrea N. Capa Salinas, J.N. Graham, O. Gerguri, A. Doll, J.A. Krieger, T.J. Hicken, G. Simutis, H. Luetkens, R. Khasanov, S.D. Wilson, Z. Guguchia   +12 more
wiley   +1 more source

Progress toward a Better BOCS: Systematic Coarse-Graining with Local Density Potentials. [PDF]

J Chem Theory Comput
Lesniewski MC, DeLyser MR, Noid WG.
europepmc   +1 more source

Ga–O–Pt Electronic Bridges Bypass Single‐Site Constraints for pH‐Universal Hydrogen Evolution

Advanced Functional Materials, EarlyView.
Well‐defined oxygen‐bridged Ga–O–Pt catalysts are constructed for pH‐universal hydrogen evolution, highlighting the relationship between oxygen‐bridged electronic coupling, rapid surface hydrogen redistribution, and superior catalytic performance. ABSTRACT Single‐site descriptors often fail to capture hydrogen evolution on heterometallic interfaces ...
Rui Wang, Jinbo Sun, Nicole L. D. Sui, Zitao Li, Jie Chen, Shulai Lei, Yuntong Sun, Wenjun Fan, Jong‐Min Lee   +8 more
wiley   +1 more source

A Simulation-Free Topological Basis for Building Compact Koopman Models of Protein Folding. [PDF]

J Chem Inf Model
Fakhoury Z, Sosso GC, Habershon S.
europepmc   +1 more source