Journal ArticleDOI
IFEFFIT: interactive XAFS analysis and FEFF fitting.
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TLDR
The core algorithms of AUTOBK and FEFFIT have been combined with general data manipulation and interactive graphics into a single package, IFEFFIT, and a Graphical User Interface for rapid 'online' data analysis is demonstrated.Abstract:
IFEFFIT, an interactive program and scriptable library of XAFS algorithms is presented. The core algorithms of AUTOBK and FEFFIT have been combined with general data manipulation and interactive graphics into a single package. IFEFFIT comes with a command-line program that can be run either interactively or in batch-mode. It also provides a library of functions that can be used easily from C or Fortran, as well as high level scripting languages such as Tcl, Perl and Python. Using this library, a Graphical User Interface for rapid 'online' data analysis is demonstrated. IFEFFIT is freely available with an Open Source license. Outside use, development, and contributions are encouraged.read more
Citations
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Journal ArticleDOI
Identification of Highly Active Fe Sites in (Ni,Fe)OOH for Electrocatalytic Water Splitting
Daniel Friebel,Mary W. Louie,Mary W. Louie,Michal Bajdich,Kai E. Sanwald,Kai E. Sanwald,Yun Cai,Yun Cai,Anna M. Wise,Mu Jeng Cheng,Mu Jeng Cheng,Dimosthenis Sokaras,Tsu-Chien Weng,Roberto Alonso-Mori,Ryan C. Davis,John R. Bargar,Jens K. Nørskov,Anders Nilsson,Anders Nilsson,Alexis T. Bell,Alexis T. Bell +20 more
TL;DR: It is established that Fe(3+) in Ni(1-x)Fe(x)OOH occupies octahedral sites with unusually short Fe-O bond distances, induced by edge-sharing with surrounding [NiO6] octahedra, which results in near optimal adsorption energies of OER intermediates and low overpotentials at Fe sites.
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P2-type Nax[Fe1/2Mn1/2]O2 made from earth-abundant elements for rechargeable Na batteries
Naoaki Yabuuchi,Masataka Kajiyama,Junichi Iwatate,Heisuke Nishikawa,Shuji Hitomi,Ryoichi Okuyama,Ryo Usui,Yasuhiro Yamada,Shinichi Komaba +8 more
TL;DR: A new electrode material, P2-Na(2/3)[Fe(1/2)Mn( 1/2)]O(2), that delivers 190 mAh g(-1) of reversible capacity in the sodium cells with the electrochemically active Fe(3+)/Fe(4+) redox will contribute to the development of rechargeable batteries from the earth-abundant elements operable at room temperature.
Journal ArticleDOI
Atomic cobalt on nitrogen-doped graphene for hydrogen generation
Huilong Fei,Juncai Dong,M. Josefina Arellano-Jiménez,Gonglan Ye,Nam Dong Kim,Errol L. G. Samuel,Zhiwei Peng,Zhuan Zhu,Fan Qin,Jiming Bao,Miguel Jose Yacaman,Pulickel M. Ajayan,Dongliang Chen,James M. Tour +13 more
TL;DR: An electrocatalyst for hydrogen generation based on very small amounts of cobalt dispersed as individual atoms on nitrogen-doped graphene is reported, which is robust and highly active in aqueous media with very low overpotentials.
Journal ArticleDOI
Biaxially strained PtPb/Pt core/shell nanoplate boosts oxygen reduction catalysis
Lingzheng Bu,Nan Zhang,Shaojun Guo,Xu Zhang,Jing Li,Jianlin Yao,Tao Wu,Gang Lu,Jingyuan Ma,Dong Su,Xiaoqing Huang +10 more
TL;DR: A class of platinum-lead/platinum (PtPb/Pt) core/shell nanoplate catalysts that exhibit large biaxial strains appear to underlie the high endurance of these catalysts, which can undergo 50,000 voltage cycles with negligible activity decay and no apparent structure and composition changes.
Journal ArticleDOI
Detailed Studies of a High-Capacity Electrode Material for Rechargeable Batteries, Li2MnO3−LiCo1/3Ni1/3Mn1/3O2
TL;DR: Electrochemical oxidation/reduction data show that simultaneous oxygen and lithium removal at the voltage plateau upon initial charge causes the structural rearrangement, including a cation migration process from metal to lithium layers, which is consistent with the mechanism proposed in the literature related to the Li-excess manganese layered oxides.
References
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Book
Tcl and the Tk Toolkit
TL;DR: The Addison-Wesley Publishing Company, Inc. as mentioned in this paper has published the first edition of this book, which is available for personal use only and requires prior written permission of the author or publisher.
Book
Programming Perl
Larry Wall,Mike Loukides +1 more
TL;DR: This third edition of Programming Perl has been expanded to cover version 5.6 of this maturing language, and new topics include threading, the compiler, Unicode, and other new features that have been added since the previous edition.
Book
Learning Python
TL;DR: This book starts with a thorough introduction to the elements of Python: types, operators, statements, functions, modules, and exceptions, and shows how Python performs common tasks and presents real applications and the libraries available for those applications.
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