Results 161 to 170 of about 3,689 (252)

Unraveling Structure‐Dependent Performance of Cu–N–C Molecular Catalysts for Electrocatalytic CO2 Methanation

open access: yesSmall, EarlyView.
Copper phthalocyanine (CuPc) and copper tetraphenylporphyrin (CuPr) both contain Cu–N4 sites, yet CuPc shows superior CO2‐to‐CH4 selectivity. Further analysis suggests that the Pc‐macrocycle tunes the electronic structure of Cu center and induces charge transfer, possibly via its π‐conjugated Pc‐ring and bridge‐N environment.
Tengyi Liu   +8 more
wiley   +1 more source

Ammonia Oxidation for Energy Conversion and Environmental Remediation: Mechanism‐Guided Catalyst Design for Electrochemical, Photocatalytic, and Photoelectrochemical Systems

open access: yesSmall, EarlyView.
This review establishes a mechanism‐guided framework for catalyst design in electrochemical, photocatalytic, and photoelectrochemical ammonia oxidation. By correlating catalyst structure, reaction mechanisms, catalytic performance, and device‐level architectures, it highlights rational engineering strategies and future directions toward efficient ...
Dong Hyun Heo   +2 more
wiley   +1 more source

Fine‐tuning ab initio XANES spectra calculations using the Bayesian optimization algorithm

open access: yesJournal of Synchrotron Radiation, EarlyView.
A Bayesian optimization technique is used to tune the FEFF and FDMNES packages and to improve matching between theoretical and experimental spectra. The tests were performed on monometallic Ni, Fe and Pd K‐edge XANES spectra using several different spectrum similarity metrics.Theoretical modeling of X‐ray absorption near‐edge structure (XANES) spectra ...
Andrey A. Sapronov   +2 more
wiley   +1 more source

Global cross-database search system for X-ray absorption spectra. [PDF]

open access: yesJ Synchrotron Radiat
Ishii M   +5 more
europepmc   +1 more source

Virtual commissioning of the Korea Light Source Hard X‐ray Nanoprobe beamline with multilingual natural language control

open access: yesJournal of Synchrotron Radiation, EarlyView.
A pre‐installation virtual commissioning platform for the Korea Light Source ID10 hard X‐ray nanoprobe couples browser‐based Monte Carlo ray tracing, EPICS/Bluesky control and a multilingual natural‐language agent (98.2% accuracy in Korean, English and Japanese) under a zero‐change hardware transition principle, producing commissioning design inputs ...
Minho Seo   +9 more
wiley   +1 more source

Lowering the Cu-O bond energy in CuO nanocatalysts enhances the efficiency of NH<sub>3</sub> oxidation. [PDF]

open access: yesNat Commun
Chen L   +11 more
europepmc   +1 more source

ASCANIO: a backscattering X‐ray multichannel spectrometer for synchrotron applications

open access: yesJournal of Synchrotron Radiation, EarlyView.
This paper presents the development and commissioning of ASCANIO, an innovative multichannel backscattering X‐ray spectrometer, including extensive testing on a synchrotron beamline, with highlights of the main results achieved.X‐ray spectrometers with high count rate capability are becoming essential to provide higher speeds in synchrotron ...
Pietro Barcella   +8 more
wiley   +1 more source

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