Results 111 to 120 of about 156,378 (258)

In Situ Elucidations of the Mechanism for Inert Molecular N2O Decomposition at Low Temperature Catalyzed by High‐Index Interfacial Exposed Co3O4

Advanced Science, EarlyView.
This study develops a co‐precipitation followed by hydrothermal synthesis strategy for synthesizing Co3O4 catalyst with multiple high‐index facets. Experiments and density functional theory calculations demonstrate that Co3+ on the (400–400) facet can form a novel active Co3+‐O* motif during the reaction.
Lei Pan, Qian Mi, Minghao Wang, Luyu Wang, Yiyang Xie, Huanjie Zhang, Ruinian Xu, Biaohua Chen   +7 more
wiley   +1 more source

Using Dopants as Agents to Probe Key Electronic Properties of Organic Semiconductors

Advanced Electronic Materials, EarlyView.
Dopants are typically used in organic electronics to enhance conductivity, but here their potential is demonstrated as probes for fundamental material properties. By integrating experimental data and multiscale simulations, it is shown how dopant ionization and conductivity measurements enable accurate extraction of ionization potential and Coulomb ...
Artem Fediai, Franz Symalla, Tobias Neumann, Wolfgang Wenzel   +3 more
wiley   +1 more source

Structural Quantification of the Surface-Confined Metal-Organic Precursors Simulated with the Lattice Monte Carlo Method. [PDF]

Molecules, 2023
Lisiecki J, Szabelski P.
europepmc   +1 more source

Fundamental Challenges, Physical Implementations, and Integration Strategies for Ising Machines in Large‐Scale Optimization Tasks

Advanced Electronic Materials, EarlyView.
Ising machines are emerging as specialized hardware solvers for computationally hard optimization problems. This review examines five major platforms—digital CMOS, analog CMOS, emerging devices, coherent optics, and quantum systems—highlighting physics‐rooted advantages and shared bottlenecks in scalability and connectivity.
Hyunjun Lee, Joon Pyo Kim, Sanghyeon Kim
wiley   +1 more source

Monte Carlo method for assessment of a multimodal insertable biosensor. [PDF]

J Biomed Opt, 2022
Fine J, McShane MJ, Coté GL.
europepmc   +1 more source

Insights on SEI Growth and Properties in Na‐Ion Batteries via Physically Driven Kinetic Monte Carlo Model

Advanced Energy Materials, EarlyView.
The novel kinetic Monte Carlo model presented here incorporates spatially‐ and time‐dependent electrical potential, which enables the precise study of the solid electrolyte interphase formation in Na‐ion batteries. The effects of electrolyte composition and charging conditions on the growth and behavior of the solid electrolyte interphase during the ...
Kie Hankins, Miftahussurur Hamidi Putra, Janika Wagner‐Henke, Axel Groß, Ulrike Krewer   +4 more
wiley   +1 more source

Seemingly unrelated time series model for forecasting the peak and short-term electricity demand: Evidence from the Kalman filtered Monte Carlo method. [PDF]

Heliyon, 2023
Owusu FK, Amoako-Yirenkyi P, Frempong NK, Omari-Sasu AY, Mensah IA, Martin H, Sakyi A.   +6 more
europepmc   +1 more source

Prediction of Structural Stability of Layered Oxide Cathode Materials: Combination of Machine Learning and Ab Initio Thermodynamics

Advanced Energy Materials, EarlyView.
In this work, we developed a phase‐stability predictor by combining machine learning and ab initio thermodynamics approaches, and identified the key factors determining the favorable phase for a given composition. Specifically, a lower TM ionic potential, higher Na content, and higher mixing entropy favor the O3 phase.
Liang‐Ting Wu, Milica Zdravković, Dijana Milosavljević, Konstantin Köster, Olivier Guillon, Jyh‐Chiang Jiang, Payam Kaghazchi   +6 more
wiley   +1 more source

Numerical Study of Gas Flow in Super Nanoporous Materials Using the Direct Simulation Monte-Carlo Method. [PDF]

Micromachines (Basel), 2023
Shariati V, Roohi E, Ebrahimi A.
europepmc   +1 more source

Comparative Insights and Overlooked Factors of Interphase Chemistry in Alkali Metal‐Ion Batteries

Advanced Energy Materials, EarlyView.
This review presents a comparative analysis of Li‐, Na‐, and K‐ion batteries, focusing on the critical role of electrode–electrolyte interphases. It especially highlights overlooked aspects such as SEI/CEI misconceptions, binder effects, and self‐discharge relevance, emphasizing the limitations of current understanding and offering strategies for ...
Changhee Lee, Zachary T. Gossage, Shinichi Kumakura, Shinichi Komaba   +3 more
wiley   +1 more source