Results 181 to 190 of about 2,270,208 (305)

Construction of Sabatier Volcanoes for CO2 Hydrogenation to C1‐2 Oxygenates Using Data‐Efficient Machine Learning

open access: yesAdvanced Science, EarlyView.
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
wiley   +1 more source

Code fiscal

open access: yes, 2014
Malherbe, Philippe   +2 more
openaire   +1 more source

Clinical and epidemiological characteristics of patients hospitalized for toxocariasis in Japan: A nationwide analysis using the diagnosis procedure combination database. [PDF]

open access: yesParasite Epidemiol Control
Matsunaga T   +14 more
europepmc   +1 more source

Boosting Ferroelectricity: 2D and Polymer Ferroelectric Hybrids Enabling Ambipolar Nonvolatile MoS2 Memory Transistor

open access: yesAdvanced Science, EarlyView.
Two‐dimensional CuInP2S6 nanosheets are incorporated into a P(VDF‐TrFE) matrix to induce polarization‐cooperative ferroelectric coupling. The resulting P(VDF‐TrFE)/CuInP2S6 hybrid film exhibits reinforced ferroelectric ordering and reduced coercive electric fields compared with pristine P(VDF‐TrFE).
Yeonsu Jeong   +10 more
wiley   +1 more source

Plaid‐Like Spin Splitting and Chirality of Magnon Bands in Antiferromagnetic MnTe2

open access: yesAdvanced Science, EarlyView.
Helicity‐ and angle‐resolved Raman spectroscopy reveals chiral magnons in the non‐coplanar antiferromagnet MnTe 2. Combined with first‐principles calculations and spin‐wave theory, the results establish its altermagnetic character through circular Raman dichroism, reduced rotational symmetry, and a distinctive plaid‐like momentum‐space magnon spin ...
Dirk Wulferding   +10 more
wiley   +1 more source

Development and Applications of a Magnetism‐Aware General‐Purpose Atomic Cluster Expansion Potential for the Fe‐O‐H Ternary System

open access: yesAdvanced Science, EarlyView.
Hydrogen‐driven iron oxide reduction, water‐iron corrosion, and hydrogen embrittlement of metallic iron share the same Fe‐O‐H chemistry. A general‐purpose Atomic Cluster Expansion potential covers this chemistry across the full concentration range with explicit Ising‐like treatment of magnetism.
Baptiste Bienvenu   +5 more
wiley   +1 more source

Machine Learning‐Driven Design of Multicomponent Bone Inorganic Matrix Mimicking Scaffolds for Osteogenesis Enhanced by Neurogenesis

open access: yesAdvanced Science, EarlyView.
Schematic illustration of development of experimental datasets and algorithm models, screening and preparation of the scaffolds and their applications in vivo. ABSTRACT Bone defects require materials with osteogenic, neurogenic, and angiogenic activity, yet designing such materials within high‐dimensional compositional spaces remains challenging. Here,
Kunlu Lin   +9 more
wiley   +1 more source

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