Revealing atypical ground state structures of III-Ununpentium compounds

Hammou, N.; Zaoui, A.; Ferhat, M.

doi:10.1088/2053-1591/ab4e39

Cited by 3 publications

(3 citation statements)

References 23 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…As shown in Figure S1, the pristine LSMO has a strong crystalline character with a hexagonal primitive cell (space group R-3c, No. 167, a = b = 5.511 Å , c= 13.358 Å ), consistent with the previous reports [50,51]. Interestingly, even after treating the LSMO with HNO 3 for up to 8 h, the bulk crystal structure could still be preserved ( Figure 2).…”

Section: Resultssupporting

confidence: 90%

Promotion of Oxygen Reduction with Both Amorphous and Crystalline MnO_x through the Surface Engineering of La_0.8Sr_0.2MnO_3‐δ Perovskite

Chen

Saccoccio

et al. 2018

ChemElectroChem

View full text Add to dashboard Cite

Surfaces play a key role in catalysis. Surfaces can be modified in a number of ways, for example by depositing nanoparticles or with functional coating layers. Here, the surface of La0.8Sr0.2MnO3‐δ (LSMO) is treated with diluted HNO3. This process leads to the preferential formation of MnOx/LSMO on the surface, leading to the exposure of Mn cations at the surface of LSMO. The electrocatalytic activity of the MnOx/LSMO heterostructure towards the oxygen reduction reaction (ORR) is shown to increase when it is compared to the untreated LSMO. Thanks to the formation of MnOx at the surface, the resulting MnOx/LSMO possesses 1) a relatively high specific surface area and a mesoporous structure, 2) a higher coverage of Mn4+/Mn3+ cations at the surface, and 3) a high concentration of highly oxidative oxygen species. This work develops a facile strategy (i. e. HNO3 treatment) for improving the ORR activity of perovskite oxides in alkaline solution at room temperature.

show abstract

Section: Resultssupporting

confidence: 90%

Promotion of Oxygen Reduction with Both Amorphous and Crystalline MnO_x through the Surface Engineering of La_0.8Sr_0.2MnO_3‐δ Perovskite

Chen

Saccoccio

et al. 2018

ChemElectroChem

View full text Add to dashboard Cite

show abstract

“…Recent experimental and theoretical work has focused on the formation of compounds including superheavy elements (Eichler et al, 2016;Oleynichenko et al, 2018;Ilias ˇ& Pershina, 2017;Even et al, 2014;Hammou et al, 2019). For example, a Seaborgium molecule (Z = 106) Sg(CO) 6 has been detected in the gas phase.…”

Section: Superheavy Elements Up To Z = 138mentioning

confidence: 99%

Advanced calculations of X-ray spectroscopies with FEFF10 and Corvus

Kas¹,

Vila²,

Pemmaraju³

et al. 2021

J Synchrotron Rad

View full text Add to dashboard Cite

The real-space Green's function code FEFF has been extensively developed and used for calculations of X-ray and related spectra, including X-ray absorption (XAS), X-ray emission (XES), inelastic X-ray scattering, and electron energy-loss spectra. The code is particularly useful for the analysis and interpretation of the XAS fine-structure (EXAFS) and the near-edge structure (XANES) in materials throughout the periodic table. Nevertheless, many applications, such as non-equilibrium systems, and the analysis of ultra-fast pump–probe experiments, require extensions of the code including finite-temperature and auxiliary calculations of structure and vibrational properties. To enable these extensions, we have developed in tandem a new version FEFF10 and new FEFF-based workflows for the Corvus workflow manager, which allow users to easily augment the capabilities of FEFF10 via auxiliary codes. This coupling facilitates simplified input and automated calculations of spectra based on advanced theoretical techniques. The approach is illustrated with examples of high-temperature behavior, vibrational properties, many-body excitations in XAS, super-heavy materials, and fits of calculated spectra to experiment.

show abstract

“…Recent experimental and theoretical work has focused on the formation of compounds including superheavy elements [51][52][53][54][55] . For example, a Seaborgium molecule (Z = 106) Sg(CO) 6 has been detected in gas phase.…”

Section: E Superheavy Elements Up To Z = 138mentioning

confidence: 99%

Advanced calculations of x-ray spectroscopies with FEFF10 and Corvus

Kas¹,

Vila²,

Rehr³

et al. 2021

Preprint

View full text Add to dashboard Cite

The real-space Green's function code FEFF has been extensively developed and used for calculations of x-ray and related spectra, including x-ray absorption (XAS), x-ray emission (XES), inelastic x-ray scattering, and electron energy loss spectra (EELS). The code is particularly useful for the analysis and interpretation of the XAS fine-structure (EXAFS) and the near-edge structure (XANES) in materials throughout the periodic table. Nevertheless, many applications, such as non-equilibrium systems, and the analysis of ultra-fast pump-probe experiments, require extensions of the code including finite-temperature and auxiliary calculations of structure and vibrational properties. To enable these extensions, we have developed in tandem, a new version FEFF10, and new FEFF based workflows for the Corvus workflow manager, which allow users to easily augment the capabilities of FEFF10 via auxiliary codes. This coupling facilitates simplified input and automated calculations of spectra based on advanced theoretical techniques. The approach is illustrated with examples of high temperature behavior, vibrational properties, many-body excitations in XAS, super-heavy materials, and fits of calculated spectra to experiment.

show abstract

Revealing atypical ground state structures of III-Ununpentium compounds

Cited by 3 publications

References 23 publications

Promotion of Oxygen Reduction with Both Amorphous and Crystalline MnO_x through the Surface Engineering of La_0.8Sr_0.2MnO_3‐δ Perovskite

Promotion of Oxygen Reduction with Both Amorphous and Crystalline MnO_x through the Surface Engineering of La_0.8Sr_0.2MnO_3‐δ Perovskite

Advanced calculations of X-ray spectroscopies with FEFF10 and Corvus

Advanced calculations of x-ray spectroscopies with FEFF10 and Corvus

Contact Info

Product

Resources

About

Revealing atypical ground state structures of III-Ununpentium compounds

Cited by 3 publications

References 23 publications

Promotion of Oxygen Reduction with Both Amorphous and Crystalline MnOx through the Surface Engineering of La0.8Sr0.2MnO3‐δ Perovskite

Promotion of Oxygen Reduction with Both Amorphous and Crystalline MnOx through the Surface Engineering of La0.8Sr0.2MnO3‐δ Perovskite

Advanced calculations of X-ray spectroscopies with FEFF10 and Corvus

Advanced calculations of x-ray spectroscopies with FEFF10 and Corvus

Contact Info

Product

Resources

About

Promotion of Oxygen Reduction with Both Amorphous and Crystalline MnO_x through the Surface Engineering of La_0.8Sr_0.2MnO_3‐δ Perovskite

Promotion of Oxygen Reduction with Both Amorphous and Crystalline MnO_x through the Surface Engineering of La_0.8Sr_0.2MnO_3‐δ Perovskite