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Machine Learning Accelerated Computational Surface-Specific Vibrational Spectroscopy Reveals Oxidation Level of Graphene in Contact with Water
Xianglong Du, Jun Cheng, Fujie Tang
https://arxiv.org/abs/2507.00364

Machine Learning Accelerated Computational Surface-Specific Vibrational Spectroscopy Reveals Oxidation Level of Graphene in Contact with Water
Precise characterization of the graphene/water interface has been hindered by experimental inconsistencies and limited molecular-level access to interfacial structures. In this work, we present a novel integrated computational approach that combines machine-learning-driven molecular dynamics simulations with first-principles vibrational spectroscopy calculations to reveal how graphene oxidation alters interfacial water structure. Our simulations demonstrate that pristine graphene leaves the hyd…

Voltage-Induced Oxidation for Enhanced Purity and Reproducibility of Quantum Emission in Monolayer 2D Materials
Sung-Joon Leea, Hsun-Jen Chuang, Kathleen M. McCreary, Mehmet A. Noyan, Berend T. Jonker
https://arxiv.org/abs/2506.19659

Voltage-Induced Oxidation for Enhanced Purity and Reproducibility of Quantum Emission in Monolayer 2D Materials
We report a voltage-induced oxidation technique using conductive atomic force microscopy to enhance the single-photon purity and reproducibility of quantum emitters in monolayer tung-sten diselenide (WSe2). By applying a controlled electric field across a monolayer WSe2/poly(vinylidene fluoride-co-trifluoroethylene) (P(VDF-TrFE)) on a silicon substrate, localized oxidation is induced around nanoindented emitter sites in the WSe2. This treatment selectively suppresses defect-bound exciton emissi…

Micromagnetic structure of oxidized magnetite nanoparticles: sharp structural versus diffuse magnetic interface
Elizabeth M. Jefremovas, Michael P. Adams, Luc\'ia Gandarias, Lourdes Marcano, Javier Alonso, Andreas Michels, Jonathan Leliaert
https://arxiv.org/abs/2506.20571

Micromagnetic structure of oxidized magnetite nanoparticles: sharp structural versus diffuse magnetic interface
The oxidation of magnetite to maghemite is a naturally occurring process that leads to the degradation of the magnetic properties of magnetite nanoparticles. Despite being systematically observed with traditional macroscopic magnetization measurement techniques, a detailed understanding of this process at the microscale is still missing. In this study, we track the evolution of the magnetic structure of magnetite nanoparticles during their oxidation to maghemite through numerical micromagnetic …

This https://arxiv.org/abs/2502.08698 has been replaced.
initial toot: https://mastoxiv.page/@arX…

The Saga of $α$-RuCl$_3$: Parameters, Models, and Phase Diagrams
RuCl$_3$ was likely the first ever deliberately synthesized ruthenium compound, following the discovery of the $_{44}$Ru element in 1844. For a long time it was known as an oxidation catalyst, with its physical properties being discrepant and confusing, until a decade ago when its allotropic form $α$-RuCl$_3$ rose to exceptional prominence. This "re-discovery" of $α$-RuCl$_3$ has not only reshaped the hunt for a material manifestation of the Kitaev spin liquid, but it has opened the floodgate…

Topotactic oxidation of Ruddlesden-Popper nickelates reveals new structural family: oxygen-intercalated layered perovskites
Dan Ferenc Segedin, Jinkwon Kim, Harrison LaBollita, Nicole K. Taylor, Kyeong-Yoon Baek, Suk Hyun Sung, Ari B. Turkiewicz, Grace A. Pan, Abigail Y. Jiang, Maria Bambrick-Santoyo, Tobias Schwaigert, Casey K. Kim, Anirudh Tenneti, Alexander J. Grutter, Shin Muramoto, Alpha T. N'Diaye, Ismail El Baggari, Donald A. Walko, Hua Zhou, Charles M. Brooks, Antia S. Bota…

Topotactic oxidation of Ruddlesden-Popper nickelates reveals new structural family: oxygen-intercalated layered perovskites
Layered perovskites such as the Dion-Jacobson, Ruddlesden-Popper, and Aurivillius families host a wide range of correlated electron phenomena, from high-temperature superconductivity to multiferroicity. Here we report a new family of layered perovskites, realized through topotactic oxygen intercalation of La_{n+1}Ni_{n}O_{3n+1} (n=1-4) Ruddlesden-Popper nickelate thin films grown by ozone-assisted molecular-beam epitaxy. Post-growth ozone annealing induces a large c-axis expansion - 17.8% for L…

On the Efficacy of Ocean Formation with a Primordial Hydrogen Atmosphere
Darius Modirrousta-Galian, Jun Korenaga
https://arxiv.org/abs/2506.10417 https://

On the Efficacy of Ocean Formation with a Primordial Hydrogen Atmosphere
It has been suggested that Earth's present water budget formed from oxidation reactions between its initial hydrogen-rich primordial atmosphere and its magma ocean. Here we examine this hypothesis by building a comprehensive atmosphere-magma ocean model. We find that water formation is unlikely for two reasons. First, any water formed from oxidation reactions in the magma ocean would quickly outgass because of the water-poor atmosphere above. Second, the top boundary layer of the magma ocean be…

Mixed platinum and zirconia powder as electrocatalyst for hydrogen evolution and oxidation reaction
Simone Minelli, Manuel Iozzia, Claudio Piazzoni, Alberto Vertova, Cristina Lenardi, Alessandro Minguzzi
https://arxiv.org/abs/2506.14819

Mixed platinum and zirconia powder as electrocatalyst for hydrogen evolution and oxidation reaction
The development of efficient and cost-effective bifunctional electrocatalysts for hydrogen-related technologies is crucial for the transition to sustainable energy. In this work, we present Pt@ZrO2 as a high-performance ceramic-based electrocatalyst for the hydrogen evolution reaction (HER) and hydrogen oxidation reaction (HOR), demonstrating superior activity and stability in alkaline conditions. Compared to Pd@ZrO2, previously investigated in our earlier work, Pt@ZrO2 exhibits significantly l…

High-accuracy inference using HfO$_x$S$_y$/HfS$_2$ Memristors
Aferdita Xhameni, Antonio Lombardo
https://arxiv.org/abs/2506.17174 https://

High-accuracy inference using HfO$_x$S$_y$/HfS$_2$ Memristors
We demonstrate high accuracy classification for handwritten digits from the MNIST dataset ($\sim$98.00$\%$) and RGB images from the CIFAR-10 dataset ($\sim$86.80$\%$) by using resistive memories based on a 2D van-der-Waals semiconductor: hafnium disulfide (HfS$_2$). These memories are fabricated via dry thermal oxidation, forming vertical crossbar HfO$_x$S$_y$/HfS$_2$ devices with a highly-ordered oxide-semiconductor structure. Our devices operate without electroforming or current compliance an…

$La_3Pd_2NaO_9$: A High-Valent Insulating Palladate
Qingqing Yang, Ning Guo, Tieyan Chang, Zheng Guo, Xiaoli Wang, Chuanyan Fan, Chao Liu, Lu Han, Feiyu Li, Tao He, Qiang Zheng, Yu-Sheng Chen, Junjie Zhang
https://arxiv.org/abs/2506.15966

$La_3Pd_2NaO_9$: A High-Valent Insulating Palladate
A high-valent palladate, $La_3Pd_2NaO_9$, has been synthesized for the first time. Single crystals with dimensions of 20 $μ$m on edge were successfully grown using the flux method at 420 $^o$C and 70 bar oxygen pressure. Energy dispersive spectroscopy (EDS) and inductively coupled plasma mass spectroscopy (ICP) measurements show that the atomic ratio of La: (Pd+Na) is 3: 3 and Pd: Na is 2: 1. X-ray photoelectron spectroscopy (XPS) measurements show that the oxidation state of Pd is dominated b…