Results 231 to 240 of about 40,391 (296)

Tailoring Phonon‐Driven Responses in α‐MoO3 through Isotopic Enrichment

Advanced Materials, EarlyView.
ABSTRACT The implementation of polaritonic materials into nanoscale devices requires selective tuning of parameters to realize desired spectral or thermal responses. One robust material, α‐MoO3, an orthorhombic crystal boasting three distinct phonon dispersions, provides three polaritonic dispersions of hyperbolic phonon polaritons (HPhPs) across the ...
Thiago S. Arnaud, Ryan W. Spangler, Johnathan D. Georgaras, Jonah B. Haber, Daniel Hirt, Maximilian Obst, Gonzalo Álvarez‐Pérez, Mackey Long III, Felix G. Kaps, Jakob Wetzel, Courtney Ragle, John E. Buchner, Youngji Kim, Aditha S. Senarath, Richarda Niemann, Mingze He, Giulia Carini, Unai Arregui‐Leon, Akash C. Behera, Ramachandra Bangari, Nihar Sahoo, Niels C. Brumby, J. Michael Klopf, Martin Wolf, Lukas M. Eng, Susanne C. Kehr, Thomas G. Folland, Alexander Paarmann, Patrick E. Hopkins, Felipe Jornada, Jon‐Paul Maria, Joshua D. Caldwell   +31 more
wiley   +1 more source

Generative AI-Driven Discovery of Next-Generation Electrolytes for Alkali Metal Batteries. [PDF]

J Chem Inf Model
Pritom R, Islam MM.
europepmc   +1 more source

Understanding Operando Water Management in Hydroxide‐Exchange‐Membrane Fuel Cells

Advanced Materials Interfaces, EarlyView.
Effective water management is vital for high‐performance hydroxide‐exchange‐membrane fuel cells. Using a custom water‐flux station, this study quantifies how membrane thickness, microporous layers, and operating conditions dictate internal water transport.
Catherine M. Weiss, Shiyi Wang, Brian P. Setzler, Yushan Yan, Adam Z. Weber   +4 more
wiley   +1 more source

Chemputer and chemputation-A universal chemical compound synthesis machine. [PDF]

Proc Natl Acad Sci U S A
Cronin L, Pagel S, Sharma A.
europepmc   +1 more source

Energy Band Alignment and Electro‐Optical Behavior of Nearly Unstrained Monolayer MoS2 Heterostructures With GaN

Advanced Materials Interfaces, EarlyView.
Large size (∼100 µm) monolayer MoS2 grown by LPI‐CVD on n‐GaN exhibit a high n‐type doping, very low strain, and a type‐I band alignment at MoS2/GaN interface. Photocurrent measurements under illumination with photon energies from ∼2 to ∼5 eV show superior electro‐optical performances of these MoS2/n‐GaN heterojunctions as compared to Ni/n‐GaN devices ...
Salvatore Ethan Panasci, Emanuela Schilirò, Giuseppe Greco, Patrick Fiorenza, Fabrizio Roccaforte, Fiorenza Esposito, Igor Píš, Federica Bondino, Antonino Madonia, Marco Cannas, Simonpietro Agnello, Luca Seravalli, Filippo Giannazzo   +12 more
wiley   +1 more source

QSPR analysis of anticancer drugs using the Euler-Sombor index and theoretical insights on its minimum value for unicyclic graphs. [PDF]

Sci Rep
Shetty S, Rakshith BR, Udupa NVS.
europepmc   +1 more source

Xenes for Sustainable Energy: A Roadmap From First‐Principles Design to Practical Deployment

Advanced Materials Interfaces, EarlyView.
Emerging 2D Xenes are advancing from theoretical predictions toward practical energy‐storage and conversion technologies through the integration of first‐principles modelling, experimental synthesis, electrochemical validation, and AI‐assisted materials design, enabling accelerated discovery of high‐performance and sustainable electrochemical systems ...
Onur Karaman, Ceren Karaman
wiley   +1 more source

Automated Discovery of Reactive Events via Hypergraph Mining of Ab Initio Atomistic Simulations. [PDF]

J Chem Theory Comput
Stan-Bernhardt A, Pellizzoni P, Borgwardt K, Ochsenfeld C.   +3 more
europepmc   +1 more source

On the Friction and Wear Mechanisms of Electrified Steel Contacts in CO2: Unveiling the Role of Carbon‐Rich Tribofilms Under Dry Sliding Conditions

Advanced Materials Interfaces, EarlyView.
This study investigates friction and wear of AISI 52100 steel under dry sliding in CO2, air, and N2 atmospheres, with and without contact electrification. CO2 forms a stable carbon‐rich tribofilm that reduces friction by ∼30% and wear by ∼85%. High‐resolution TEM, EELS, and molecular dynamics reveal pressure‐dependent lubrication mechanisms, showing ...
Julio A. Cao‐Romero‐Gallegos, Seungjoo Lee, Cagatay Yelkarasi, Leonardo I. Farfan‐Cabrera, Ryuichi Okamoto, Hitoshi Washizu, Ali Erdemir   +6 more
wiley   +1 more source

QSAR analysis of drugs using graph based degree based topological indices and regression models. [PDF]

Sci Rep
Mufti ZS, Kabeer A, Almehizia AA, Ganati GA.   +3 more
europepmc   +1 more source