Microscopic chemical characterization of epoxy resin with scanning transmission electron microscopy–electron energy-loss spectroscopy
The structural characterization of epoxy resins is essential to improve the understanding on
their structure–property relationship for promising high-performance applications. Among all …
their structure–property relationship for promising high-performance applications. Among all …
Prediction of the Ground-State Electronic Structure from Core-Loss Spectra of Organic Molecules by Machine Learning
PY Chen, K Shibata, K Hagita, T Miyata… - The Journal of …, 2023 - ACS Publications
The core-loss spectrum reflects the partial density of states (PDOS) of the unoccupied states
at the excited state and is a powerful analytical technique to investigate local atomic and …
at the excited state and is a powerful analytical technique to investigate local atomic and …
Multicode benchmark on simulated Ti K-edge x-ray absorption spectra of Ti-O compounds
X-ray absorption spectroscopy (XAS) is an element-specific materials characterization
technique that is sensitive to structural and electronic properties. First-principles simulated …
technique that is sensitive to structural and electronic properties. First-principles simulated …
[HTML][HTML] Structural and chemical analysis of hard carbon negative electrode for Na-ion battery with X-ray Raman scattering and solid-state NMR spectroscopy
This study explores the structural changes of hard carbon (HC) negative electrodes in
sodium-ion batteries induced by insertion of Na ions during sodiation. X-ray Raman …
sodium-ion batteries induced by insertion of Na ions during sodiation. X-ray Raman …
Predicting ELNES/XANES spectra by Machine Learning with Atomic Coordinate-independent Descriptor and Further application to ground state electronic structure
PY Chen, K Shibata, K Hagita, T Miyata, T Mizoguchi - Micron, 2024 - Elsevier
ABSTRACT ELNES/XANES spectrum can be observed using TEM or synchrotron facility
and can elucidate the unoccupied state electronic structure at an excited state. The …
and can elucidate the unoccupied state electronic structure at an excited state. The …
A Study on the Reaction Mechanism of a Model Organic Cathode in Magnesium-Ion Batteries
The need for abundant, sustainable, and cost-effective energy storage technologies has
been generating increased interests in batteries that rely on the use of earth abundant …
been generating increased interests in batteries that rely on the use of earth abundant …
Macroscopic sheets of hydrogen boride and their spectroscopic evaluation
K Yamaguchi, M Niibe, X Zhang, T Sumi, M Horio… - Physical Review …, 2024 - APS
Macroscopic sheets of hydrogen boride (HB) were fabricated by annealing microflakes,
synthesized after the ion-exchange reaction. The sheets were centimeters wide and a …
synthesized after the ion-exchange reaction. The sheets were centimeters wide and a …
[HTML][HTML] A message passing neural network for predicting dipole moment dependent core electron excitation spectra
K Shibata, T Mizoguchi - Digital Discovery, 2024 - pubs.rsc.org
Absorption near-edge structures in core electron excitation spectra reflect the anisotropy of
orbitals in the final transition state and can be utilized for analyzing the local atomic …
orbitals in the final transition state and can be utilized for analyzing the local atomic …
Imaging the complex interactions in CuAg-PEO nanoparticles ensemble for enhanced CO2 reduction
X Yuan, TM Caamano, T Sun, EA Baranova… - Journal of Electron …, 2023 - Elsevier
Abstract CO 2 electrochemical reduction (CO 2 ER) is a promising technology that can
convert CO 2 into useful chemicals and fuels with simultaneously reducing greenhouse gas …
convert CO 2 into useful chemicals and fuels with simultaneously reducing greenhouse gas …
ELNES の理論計算と機械学習
柴田基洋， 溝口照康 - 顕微鏡, 2024 - jstage.jst.go.jp
抄録 電子エネルギー損失分光の吸収端微細構造 (ELNES) は物質中の電子状態の情報を豊富に
含み, 透過型電子顕微鏡の高い空間分解能を活かして取得できる. ELNES はその場観察や …
含み, 透過型電子顕微鏡の高い空間分解能を活かして取得できる. ELNES はその場観察や …