Diffusion quantum Monte Carlo calculations of SrFeO3 and LaFeO3-Reference-Cited by-同舟云学术

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Diffusion quantum Monte Carlo calculations of SrFeO3 and LaFeO3

Published:2017-07-21 Issue:3 Volume:147 Page:034701
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Santana Juan A.¹²^ORCID,Krogel Jaron T.¹,Kent Paul R. C.³⁴^ORCID,Reboredo Fernando A.¹

Affiliation:

1. Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA

2. Department of Chemistry, University of Puerto Rico at Cayey, P.O. Box 372230, Cayey, Puerto Rico 00737-2230, USA

3. Center for Nanophase Materials Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA

4. Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA

Funder

Oak Ridge National Laboratory (ORNL)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.4994083

Reference98 articles.

1. Photocatalytic activities of LaFeO3 and La2FeTiO6 in p-chlorophenol degradation under visible light

2. Complete oxidation of hydrocarbons on YFeO3 and LaFeO3 catalysts

3. Low temperature butane sensing using catalytic nano-crystalline lanthanum ferrite sensing element

4. Effect of ball milling on the characteristics of nano structure SrFeO3 powder for photocatalytic degradation of methylene blue under visible light irradiation and its reaction kinetics

5. Mixture of Fuels Approach for the Synthesis of SrFeO3−δ Nanocatalyst and Its Impact on the Catalytic Reduction of Nitrobenzene

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2. Oxygen grain-boundary diffusion in (La,Sr)FeO_3−δ perovskite-oxides probed by molecular-dynamics simulations;RSC Applied Interfaces;2024

3. Defect graph neural networks for materials discovery in high-temperature clean-energy applications;Nature Computational Science;2023-08-10

4. Stability, electronic, optical and thermoelectric properties of site-substituted LaV O3;Materials Today Communications;2023-06

5. Existence of La-site antisite defects in $$\hbox{LaMO}_3$$ ($$\hbox{M} = \hbox{Mn}$$, Fe, and Co) predicted with many-body diffusion quantum Monte Carlo;Scientific Reports;2023-04-25

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