Results 231 to 240 of about 132,770 (306)

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

Advanced Functional Materials, EarlyView.
We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu, Akhil Pratap Singh, Pablo Campomanes, Stefano Vanni   +3 more
wiley   +1 more source

Engineering Strategies for Stable and Long‐Life Alkaline Zinc‐Based Flow Batteries

Advanced Functional Materials, EarlyView.
Alkaline zinc‐based flow batteries face persistent challenges from unstable zinc deposition, including dendrite growth, passivation, corrosion, and hydrogen evolution, which severely limit cycling stability. Current research addresses these issues through coordinated electrode structuring, electrolyte regulation, and membrane design to control zinc ...
Yuran Bai, Xiaoyu Huo, Xin Long, Enkang Fu, Xusong Gong, Lei Wei, Liang An   +6 more
wiley   +1 more source

Toward Stable Multivalent Metal Batteries: Understanding the Interfacial Chemistry for Magnesium and Calcium Metal Anodes

Advanced Functional Materials, EarlyView.
Interphase chemistry governs the stability of multivalent metal batteries. We summarize state‐of‐the‐art developments in calcium and magnesium metal batteries by focusing on the correlation among electrolytes, interphase layers, and the electrochemical performance of corresponding metal anodes.
Huijun Lin, Qi Meng, Juncai Long, Chuheng Cao, Zheng‐Long Xu   +4 more
wiley   +1 more source

Quantitative approach to realization of ultrasonic grain refinement of Al-7Si-2Cu-1Mg alloy. [PDF]

Sci Rep, 2019
Kim SB, Cho YH, Jo MS, Jung JG, Lee YK, Lee JM.   +5 more
europepmc   +1 more source

Investigation of Halogen Substitution Effects in π‐Conjugated Organic Ligands of Chiral Hybrid Perovskites on Their Chiroptical Activity

Advanced Functional Materials, EarlyView.
The role of novel thiophene‐based ligands with halogen substitutions in enhancing the chiroptical and optoelectronic properties of 2D chiral HOIPs has been investigated. By tailoring ligand design, enhanced CD and CPL properties are achieved, with improved CPL discrimination in photodetectors.
Boesung Kwon, Doyeong Yeo, In‐Chul Hwang, In Hwan Jung, Joon Hak Oh   +4 more
wiley   +1 more source

Revealing the Hidden Role of Cd in p‐Type Mg3Sb2: Enhanced Thermoelectric Performance by Grain Boundary Segregation Engineering

Advanced Functional Materials, EarlyView.
The hidden role of Cd segregation at grain boundaries is revealed in p‐type Mg3Sb2 by atom probe tomography and other advanced characterizations. Grain boundary Cd enrichment suppresses the SbMg+ hole‐killer formation and lowers potential barriers, enhancing electrical conductivity.
Zhou Li, Deming Dong, Xiaoyu Yang, Jun Qian, Mengruizhe Kong, Han Wan, Ni Ma, Wei Bai, Pengfei Nan, Binghui Ge, Jiming Song, G. Jeffrey Snyder, Yuan Yu   +12 more
wiley   +1 more source

High Pressure Densification Investigation of Li3PS4 and Li6PS5Cl Solid Electrolytes using Combine X‐Ray Diffraction, X‐Ray Absorption Tomography and Ionic Measurement

Advanced Functional Materials, EarlyView.
We used multiple analytical techniques at the Psiché beamline, Synchrotron Soleil, and at D20 instrument in Institut Laue Langevin, to study the densification of thiophosphate solid electrolytes Li3PS4 and Li6PS5Cl. Our combined X‐ray diffraction, absorption tomography, absorption density, neutron power diffraction, and ionic conductivity analyses ...
Oskar Thompson, Ove Korjus, Adrien Fauchier‐Magnan, Clément Albin, Sergio F. Mayer, Emmanuelle Suard, Thomas Hansen, Laura Henry, Nicolas Guignot, Vittoria Pischedda, Sylvie Le Floch, Claire Villevieille   +11 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

Effect of Boron on the Grain Refinement and Mechanical Properties of as-Cast Mg Alloy AM50. [PDF]

Materials (Basel), 2019
Zhang S, Song J, Liao H, Liu Y, Zhang G, Ma S, Tang A, Atrens A, Pan F.   +8 more
europepmc   +1 more source

Grain refinement in aluminium alloys

, 2018
openaire   +1 more source