Results 91 to 100 of about 39,813 (246)

X-ray Absorption Near Edge Structure of FePt nanoclusters

, 2004
X-ray Absorption Near Edge Structure [XANES] of FePt nanoclusters has been studied using a full multiple scattering, self-consistent field [SCF], real-space Green`s function approach realized via the powerful ab initio FEFF8 code.
Ankudinov, Ankudinov, Ankudinov, Bigot, Javed Ahmed, Newville, Sher Alam, Wu, Yoshio Matsui   +8 more
core   +2 more sources

Science‐Towards‐Technology Breakthrough in CO2 Electroreduction: Multiphysics, Multiscale, and Artificial Intelligence Insights

Advanced Materials, EarlyView.
Electrochemical CO2RR is a key technology for converting CO2 into chemicals, but there remains a gap between “laboratory science” and “engineering practice” in current research. This review establishes a multi‐scale research framework, encompassing atomic‐level characterization, microenvironment regulation, external field‐assisted optimization, and AI ...
Ping Hong, Changfan Xu, Huaping Zhao, Yong Lei   +3 more
wiley   +1 more source

L3-edge X-ray spectroscopy of rhodium and palladium compounds

Journal of Synchrotron Radiation
L3-edge high-energy-resolution fluorescence-detection X-ray absorption near-edge structure (XANES) spectra for palladium and rhodium compounds are presented, with focus on their electronic structures. The data are compared with transmission XANES spectra
Hugo Alexander Suarez Orduz, Luca Bugarin, Sarina-Lena Heck, Paolo Dolcet, Maria Casapu, Jan-Dierk Grunwaldt, Pieter Glatzel   +6 more
doaj   +1 more source

Dynamic multiple-scattering treatment of X-ray absorption: Parameterization of a new molecular dynamics force field for myoglobin

Structural Dynamics, 2018
We present a detailed analysis of the X-ray absorption near-edge structure (XANES) data on the Fe K-edge of CO Myoglobin based on a combined procedure of Molecular Dynamics (MD) calculations and MXAN (Minuit XANes) data analysis that we call D-MXAN.
Giovanni Chillemi, Massimiliano Anselmi, Nico Sanna, Cristiano Padrin, Lodovico Balducci, Marco Cammarata, Elisabetta Pace, Majed Chergui, Maurizio Benfatto   +8 more
doaj   +1 more source

Ga‐on‐In Substitution with Zn Vacancies in Zn3In2S6 Induces Electron–Hole Asymmetry and In─O Bond Weakening for Coupled Two‐Electron Oxygen Reduction and H2O2 Stabilization

Advanced Materials, EarlyView.
Ga‐on‐In substitution coupled with Zn vacancies in Zn3In2S6 creates a dopantdefect synergy that weakens InO bonding and induces electronhole asymmetry. The resulting spatial charge separation directs the two‐electron oxygen reduction pathway, enabling efficient artificial photosynthesis of H2O2 with a production rate of 187.8 µmol g−1 min−1 ...
Xiaowen Ruan, Chunsheng Ding, Dongxu Jiao, Jing Leng, Minghua Xu, Bonan Li, Zhipeng Yu, Xiaoqiang Cui, Jimmy C. Yu, Yongfa Zhu, Sai Kishore Ravi   +10 more
wiley   +1 more source

Noise-robust analysis of X-Ray absorption near-edge structure based on poisson distribution

Science and Technology of Advanced Materials: Methods
We demonstrate that the noise tolerance of X-ray absorption near-edge structure (XANES) analysis can be improved by reconsidering the noise model. XANES measurement is a powerful technique to investigate the structure and electronic state of materials ...
Shuhei Kashiwamura, Shun Katakami, Taiga Yamasaki, Kazunori Iwamitsu, Hiroyuki Kumazoe, Kenji Nagata, Toshihiro Okajima, Ichiro Akai, Masato Okada   +8 more
doaj   +1 more source

Resonant x-ray diffraction study of the magnetoresistant perovskite Pr0.6Ca0.4MnO3

, 2004
We report a x-ray resonant diffraction study of the perovskite Pr0.6Ca0.4MnO3. At the Mn K-edge, this technique is sensitive to details of the electronic structure of the Mn atoms. We discuss the resonant x-ray spectra measured above and below the charge
A. Daoud-Aladine, A.M. Oleś, B.J. Sternlieb, C. S. Nelson, C. Venkataraman, C. Vettier, Ch. Simon, D. Casa, D.H. Templeton, Doon Gibbs, E. Dagotto, E. Wollan, H. Kawano, I.A. Zaliznyak, I.S. Elfimov, J. García, J. García, J. Kanamori, J. P. Hill, J. Rodríguez-Carvajal, J. van den Brink, J.B. Goodenough, K. J. Thomas, K. Nakamura, L. Paolasini, M. Benfatto, M. Lees, M. Noguchi, M. Takahashi, M. Takahashi, M. Takahashi, M. v. Zimmermann, M.B. Salamon, M.v. Zimmermann, M.v. Zimmermann, P. Mahadevan, P. Woodward, P.G. Radaelli, R. Kajimoto, S. Grenier, S. Grenier, T. Gog, U. Staub, V. Kiryukhin, V.E. Dmitrienko, V.I. Anisimov, Y. Joly, Y. Murakami, Y. Murakami, Y. Okimoto, Y. Tokura, Y. Tomioka, Y. Tomioka, Z. Jirák, Z. Popović   +54 more
core   +1 more source

Activating a Metallization Switch for Record Hydrogen Evolution in Single‐Atom Modified Polar MOF Piezocatalysts

Advanced Materials, EarlyView.
ABSTRACT Piezocatalytic hydrogen evolution enables the conversion of mechanical energy into chemical fuels, but its efficiency is constrained by a trade‐off between piezoelectric polarization and electronic conductivity. Strong piezoelectric polarization is essential for sufficient driving force, yet highly polar materials typically suffer from poor ...
Chongyan Hao, Xinwei Guan, Yang Wu, Lingfeng Zhu, Yiwen Mai, Thomas Frauenheim, Zhenping Fu, Yalin Lu, Shidong Wang, Hanxing Liu, Hua Hao, Shujun Zhang, Zhenxiang Cheng, Xiaoning Li   +13 more
wiley   +1 more source

Effect of Zn doping on the Magneto-Caloric effect and Critical Constants of Mott Insulator MnV2O4

, 2014
X-ray absorption near edge spectra (XANES) and magnetization of Zn doped MnV2O4 have been measured and from the magnetic measurement the critical exponents and magnetocaloric effect have been estimated.
Chatterjee, Sandip, Ghosh, A. K., Kumar, A., Nigam, A. K., Shahi, Prashant, Shukla, K. K., Singh, Harishchandra, Yadav, A. K.   +7 more
core   +2 more sources

Inter‐Atomic Synergy on Single‐Atom Alloy Promotes Cyclohexanone Oxime Electrosynthesis

Advanced Materials, EarlyView.
Electrosynthesis of cyclohexanone oxime using renewable electricity offers a greener alternative to traditional energy‐intensive methods. Here, we develop a Fe1Bi single‐atom alloy that delivers 70.9% Faradaic efficiency and 0.94 mmol cm−2 h−1 yield rate through the atomic‐scale synergistic mechanism.
Panlong Zhai, Chen Wang, Guan Sheng, Chao Ye, Jungang Hou, Qinfen Gu, Tao Ling, Ye Zhu, Pei Liang, Xin Wang, Jieqiong Shan   +10 more
wiley   +1 more source