Results 61 to 70 of about 53,002 (284)

Built‐In Interfacial Electric Field in Hydroxyl‐Terminated MXene/COF Heterostructures for Enhanced Solid‐State Supercapacitors

Advanced Functional Materials, EarlyView.
Hydroxyl‐terminated MXene is integrated with a redox‐active covalent organic framework through electrostatic self‐assembly followed by hydrothermal treatment to construct MXene/COF heterostructures with a built‐in interfacial electric field. Termination‐controlled interfacial electronic modulation induces charge redistribution and favorable band ...
Cheru Fekadu Molla, Birhanu Bayissa Gicha, Boka Fikadu Banti, Indra Memdi Khoris, Jaebeom Lee   +4 more
wiley   +1 more source

A study of the phase transitions, electronic structures and thermodynamic properties of Mg2X (X = Ge, Si and Sn) under high pressure

Journal of Science: Advanced Materials and Devices, 2017
In this work, we theoretically investigate phase transitions, electronic structures and thermodynamic properties of Mg2X (X = Ge, Si and Sn) under high pressures.
M. Guezlane, H. Baaziz, Z. Charifi, A. Belgacem-Bouzida, Y. Djaballah   +4 more
doaj   +1 more source

LOTUS: A (Non-) LTE Optimization Tool for Uniform Derivation of Stellar Atmospheric Parameters

The Astronomical Journal, 2023
Precise fundamental atmospheric stellar parameters and abundance determination of individual elements in stars are important for all stellar population studies.
Yangyang Li, Rana Ezzeddine
doaj   +1 more source

Metric tensor as the dynamical variable for variable cell-shape molecular dynamics

, 1997
We propose a new variable cell-shape molecular dynamics algorithm where the dynamical variables associated with the cell are the six independent dot products between the vectors defining the cell instead of the nine cartesian components of those vectors.
C. L. Cleveland, D. Beeman, D. Frenkel, G. Ciccotti, H. C. Andersen, Ivo Souza, J. R. Ray, J. R. Ray, J. R. Ray, J. R. Ray, J. V. Lill, J. Zhu Hu, JoséLuís Martins, M. Parrinello, M. Parrinello, M. W. Ribarsky, N. Troullier, O. H. Nielsen, P. Focher, R. Biswas, R. Car, R. M. Wentzcovitch, R. M. Wentzcovitch, S. Nosé, S. Noséand M. L. Klein, W. C. Davidon, W. E. Pickett   +26 more
core   +1 more source

Magnetothermal‐Triggered Response and Self‐Healing of Recyclable and Reprocessable Nanocomposites for Actuation Systems

Advanced Functional Materials, EarlyView.
Developing recyclable materials for magnetic robotics that combine rapid response and self‐healing properties is challenging. Hence, this study focuses on the integration of magnetothermal nanoparticles into a dynamic sorbitol‐based vitrimer, a recyclable composite capable of remote actuation and self‐healing by magnetic heating.
Maria Weißpflog, Gloria Signorato, Birgit Hankiewicz, Volker Abetz   +3 more
wiley   +1 more source

Unlocking Multi‐Valley Energy Pockets and Interface‐Induced Phonon Filtering in InSb Thermoelectrics by Reaction‐Driven Interface Engineering

Advanced Functional Materials, EarlyView.
InSb, a narrow‐bandgap semiconductor with high carrier mobility, is promising for thermoelectric energy conversion but suffers from high lattice thermal conductivity and strong bipolar conduction. Here, in situ interface engineering using Co2O3 nanoprecursors forms hierarchical CoSbx/In2O3/CoSb3 heterostructures that enhance phonon scattering and ...
Jiwu Xin, Xiao Yang, Xiao‐Lei Shi, Chengyun Xu, Xi Ling, Pengyu Zhang, Jinfeng Dong, Yong Du, Haisheng Chen, Ting Zhang, Zhi‐Gang Chen   +10 more
wiley   +1 more source

Mixed‐Metal Promotion in a Manganese‐Molybdenum Oxynitride as Catalyst to Integrate C─C and C─N Coupling Reactions for the Direct Synthesis of Acetonitrile from Syngas and Ammonia

Advanced Materials, EarlyView.
Transition metal oxy/carbo‐nitrides show great promise as catalysts for sustainable processes. A Mn‐Mo mixed‐metal oxynitride attains remarkable performance for the direct synthesis of acetonitrile, an important commodity chemical, via sequential C─N and C─C coupling from syngas (C1) and ammonia (N1) feedstocks.
M. Elena Martínez‐Monje, Wilson Henao, Tania Rodenas, Patricia Concepción, Virginia Pérez Dieste, Alexander Missyul, Giovanni Agostini, Gonzalo Prieto   +7 more
wiley   +1 more source

A linear nonequilibrium thermodynamics approach to optimization of thermoelectric devices

, 2013
Improvement of thermoelectric systems in terms of performance and range of applications relies on progress in materials science and optimization of device operation. In this chapter, we focuse on optimization by taking into account the interaction of the
A Bejan, A Ioffe, B Andresen, B Andresen, B Andresen, BJ Wees Van, C Broeck Van den, C Goupil, C Goupil, CA Domenicali, D Nemir, F Curzon, GJ Snyder, H Houten Van, HB Callen, HB Callen, I Prigogine, II Novikov, JCA Peltier, JW Stevens, K Yasawa, L Onsager, L Onsager, M Esposito, M Esposito, M Freunek, N Nakpathomkun, N Pottier, O Karlström, P Salamon, R Kubo, T Schmiedl, TE Humphrey, U Seifert, U Sivain, Y Apertet, Y Apertet, Y Apertet, Y Apertet, Y Apertet, Y Rocard   +40 more
core   +1 more source

Generalized Finite-time Optimal Control Framework in Stochastic Thermodynamics

Optimal processes in stochastic thermodynamics are a frontier for understanding the control and design of non-equilibrium systems, with broad practical applications in biology, chemistry, and nanoscale/mesoscale systems. Optimal mass transport theory and thermodynamic geometry have emerged as optimal control methodology, but they are based on slow ...
Mohite, Atul Tanaji, Rieger, Heiko
openaire   +2 more sources

Thermodynamic bounds and general properties of optimal efficiency and power in linear responses

Physical Review E, 2014
We study the optimal exergy efficiency and power for thermodynamic systems with Onsager-type "current-force" relationship describing the linear-response to external influences. We derive, in simple analytic forms, the maximum efficiency and optimal efficiency for maximum power for a thermodynamic machine described by a $N\times N$ symmetric Onsager ...
openaire   +4 more sources