Results 81 to 90 of about 119,278 (296)

Enhanced Nitric Oxide Electroreduction to Ammonia via Modulating Spin‐Polarization of Fe Single‐Atom Catalysts

Advanced Functional Materials, EarlyView.
A strategic spin‐polarization suppression in Fe single‐atom catalysts is proposed to enhance electrocatalytic reduction of NO to NH3. Employing a top‐down electrospinning strategy, self‐supported FeSAC with Fe‐N3S1 coordination structure and spin‐state transition is engineered from high‐spin to low‐spin.
Jialing Song, Ziqi Wei, Lupeng Han, Zhenlin Wang, Chenghao Fan, Donglin Han, Chunwei Dong, Haiyan Duan, Xiyang Wang, Sam Fong Yau Li, Eslam Hamed, Ming Xie, Emiliano Cortés, Dengsong Zhang   +13 more
wiley   +1 more source

Strain-induced shift in the elastically soft direction of epitaxially grown fcc metals

, 1997
The theory of epitaxial strain energy is extended beyond the harmonic approximation to account for large film/substrate lattice mismatch. We find that for fcc noble metals (i) directions and soften under tensile biaxial strain (unlike zincblende ...
Ozolins, V., Wolverton, C., Zunger, A.
core   +1 more source

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

Properties of non-FCC hard-sphere solids predicted by density functional theory

, 2006
The free energies of the FCC, BCC, HCP and Simple Cubic phases for hard spheres are calculated as a function of density using the Fundamental Measure Theory models of Rosenfeld et al (PRE 55, 4245 (1997)), Tarazona (PRL 84, 694 (2001)) and Roth et al (J.
Lutsko, James F.
core   +1 more source

High Entropy Wide‐Bandgap Borates with Broadband Luminescence and Large Nonlinear Optical properties

Advanced Functional Materials, EarlyView.
High‐entropy rare‐earth borates exhibit excellent nonlinear optical and broadband luminescence properties arising from multi‐component doping, chemical disorder, increased configurational entropy, and increased lattice and electronic anharmonicity. This formulation enabled us to obtain a large, environmentally stable single crystal with 3X higher laser‐
Saugata Sarker, Yu Wang, Yongwen Sun, Caeli Benyacko, Saeed S.I. Almishal, Tao Zhou, Zhiyu Zhang, Jadupati Nag, Himirkanti Sarkar, Jeffrey Shallenberger, Hemant Yennawar, Yang Yang, Jon‐Paul Maria, Zhiqiang Mao, Venkatraman Gopalan   +14 more
wiley   +1 more source

Design of BCC/FCC dual-solid solution refractory high-entropy alloys through CALPHAD, machine learning and experimental methods

npj Computational Materials
Refractory high-entropy alloys (RHEAs) typically exhibit a body-centered cubic (BCC) structure with excellent strength but poor ductility, which limits their practical applications.
Longjun He, Chaoyue Wang, Mina Zhang, Jinghao Li, Tianlun Chen, Xianglin Zhou   +5 more
doaj   +1 more source

The pseudomorphic to bulk fcc phase transition of thin Ni films on Pd(100)

, 2004
We have measured the transformation of pseudomorphic Ni films on Pd(100) into their bulk fcc phase as a function of the film thickness. We made use of x-ray diffraction and x-ray induced photoemission to study the evolution of the Ni film and its ...
Bruno, F., Cossaro, A., Cvetko, D., Floreano, L., Granozzi, G., Morgante, A., Petukhov, M., Rizzi, G. A., Sedona, F.   +8 more
core   +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

Isomorphic phase transformation in shocked Cerium using molecular dynamics

EPJ Web of Conferences, 2011
Cerium (Ce) undergoes a significant (∼16%) volume collapse associated with an isomorphic fcc-fcc phase transformation when subject to compressive loading.
Germann T.C., Chen S.-P., Dupont V.
doaj   +1 more source

Engineering transformation pathways in an Al0.3CoFeNi complex concentrated alloy leads to excellent strength–ductility combination

Materials Research Letters, 2020
Guided by thermodynamic modeling, engineering phase transformation pathways via thermo-mechanical processing, in a complex concentrated alloy/high entropy alloy (HEA) of composition Al0.3CoFeNi, lead to a novel multi-scale microstructure consisting of ...
S. Dasari, A. Jagetia, V. Soni, B. Gwalani, S. Gorsse, R. Banerjee   +5 more
doaj   +1 more source