Results 81 to 90 of about 42,404 (263)

Modulating Interfacial Potential Gradients in Metal−Carbon Catalysts via Phase‐Engineering for Lithium–Sulfur Batteries

Advanced Functional Materials, EarlyView.
It is elucidated that phase engineering of cobalt modulates the interfacial potential gradients of cobalt–carbon electrocatalysts, enhancing the intrinsic electrocatalytic performance. Modulating the dominant crystalline phase of cobalt from a hexagonal close‐packed to a face‐centered cubic enriches the electron density of carbon shells, thereby ...
Ji‐Oh Kim, Hengquan Guo, Seonghee Kim, Jae Bin Park, Seongwook Chae, Taekyun Kwon, Seungjo Hong, Byeong Jin Kim, Guadalupe Arturo De la Garza Gonzalez, Minjoon Park, Jae Ho Kim, Oi Lun Li, Seung Geol Lee, Jin Hong Lee   +13 more
wiley   +1 more source

Bio‐Inspired Molecular Events in Poly(Ionic Liquids)

Advanced Functional Materials, EarlyView.
Originating from dipolar and polar inter‐ and intra‐chain interactions of the building blocks, the topologies and morphologies of poly(ionic liquids) (PIL) govern their nano‐ and micro‐processibility. Modulating the interactions of cation‐anion pairs with aliphatic dipolar components enables the tunability of properties, facilitated by “bottom‐up ...
Jiahui Liu, Marek W. Urban
wiley   +1 more source

Determination of the Equilibrium Parameters of Gaseous Detonations Using a Genetic Algorithm [PDF]

Iranian Journal of Chemical Engineering, 2008
The present work is concerned with the development of a new algorithm for determination of the equilibrium composition of gaseous detonations. The elements balance equations, and the second law of thermodynamics (i.e., the minimization of the Gibbs free ...
doaj  

Dual‐Ligand Metal‐Organic Frameworks via In Situ Amidoxime Engineering for Selective Ion Separation

Advanced Functional Materials, EarlyView.
Inspired by microbial ion‐trapping mechanisms, a mild and universal strategy is developed to construct highly porous amidoxime‐functionalized MOFs. DFT calculations and molecular force measurements reveal that the dual‐ligand amidoxime configuration significantly strengthens Ga(III) affinity.
Zhifang Lv, Guixia Fan, Yun Bai, Guosheng Li, Peng Li, Wenjihao Hu, Yijun Cao, Wenshuai Yang, Daoguang Teng, Hongbo Zeng   +9 more
wiley   +1 more source

Accelerated Discovery of High Performance Ni3S4/Ni3Mo HER Catalysts via Bayesian Optimization

Advanced Functional Materials, EarlyView.
Integrated workflow accelerates the catalyst discovery of hydrogen evolution reaction via Bayesian optimization. An experiment‐trained surrogate model proposes synthesis conditions, guiding iterative refinement using electrochemical performance metrics.
Namuersaihan Namuersaihan, Zhiqiang Zhao, Oliver J. Conquest, Ying Shu, Haoyue Sun, Chunjing Su, Qi Cheng, Aloysius Soon, Catherine Stampfl, Jun Huang   +9 more
wiley   +1 more source

Frontier Advances of Emerging High‐Entropy Anodes in Alkali Metal‐Ion Batteries

Advanced Functional Materials, EarlyView.
Recent advances in microscopic morphology control of high‐entropy anode materials for alkali metal‐ion batteries. Abstract With the growing demand for sustainable energy, portable energy storage systems have become increasingly critical. Among them, the development of rechargeable batteries is primarily driven by breakthroughs in electrode materials ...
Liang Du, Kaidi Zhang, Liang Wang, Di Zhao, Mengqing Hu, Mingli Li, Ming Zhou, Zhenzhen Wu, Mengyang Dong, Bo Fu, Porun Liu, Yun Wang, Hongxia Wang, Yuantong Gu, Lei Zhang   +14 more
wiley   +1 more source

Prediction of Sm- (Co, Cu, Fe, Zr) binary alloys’ thermodynamic parameters by improved miedema model

Materials Research Express
Currently, the original Miedema mixing enthalpy model yields calculation results that exhibit some discrepancies when compared to experimental data.
Zhi Zhu, Yikun Fang, Wei Wu, Bo Zhao, Jiashuo Zhang, Ming Lei   +5 more
doaj   +1 more source

Calculation of the Vapour Pressure of Organic Molecules by Means of a Group-Additivity Method and Their Resultant Gibbs Free Energy and Entropy of Vaporization at 298.15 K. [PDF]

Molecules, 2021
Naef R, Acree WE.
europepmc   +1 more source

Dual‐Site Ru Single‐Atoms and RuP Nanoclusters on N, P, and B Co‐Doped Porous Carbon for Efficient Alkaline HER and AEM Water Electrolysis

Advanced Functional Materials, EarlyView.
Ru single atoms and RuP nanoclusters are co‐anchored in N, P, and B co‐doped porous carbon nanospheres via in situ carbonization/phosphidation of a boronate polymer precursor. RuP activates water, while nearby Ru single atoms accelerate H2 formation through H* transfer. The catalyst delivers low overpotential and high durability in alkaline HER and AEM
Xiaohong Wang, Juguo Dai, Dongxu Li, Jianghua Wu, Hucheng Fu, Yiting Xu, Xueqiang Qi, Qian Xue, Yanbin Shen, Xiaoqing Pan, Conghui Yuan, Shuifen Xie, Andreu Cabot, Lizong Dai   +13 more
wiley   +1 more source

Hysteresis and thermodynamic properties of water sorption in ‘Malagueta’ pepper seeds

Revista Brasileira de Engenharia Agrícola e Ambiental
The objective of this study was to determine hysteresis, enthalpy, entropy, enthalpy-entropy compensation theory and Gibbs free energy for water adsorption and desorption in ‘Malagueta’ pepper seeds.
Hellismar W. da Silva, Renato S. Rodovalho, Isneider L. Silva   +2 more
doaj   +1 more source