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23 papers · 2 filters
Developing a single-phase and nanograined refractory high-entropy alloy ZrHfNbTaW with ultrahigh hardness by phase transformation via high-pressure torsion
Shivam Dangwal, Kaveh Edalati
High-entropy alloys (HEAs) are potential candidates for applications as refractory materials. While dual-phase refractory HEAs containing an ordered phase exhibit high hardness, th…
Photoreforming of plastic waste into valuable products and hydrogen using a high-entropy oxynitride with distorted atomic-scale structure
Ho Truong Nam Hai, Thanh Tam Nguyen, Maiko Nishibori +2
The persistent existence of plastic waste causes serious problems for the environment, directly and indirectly affecting the health of organisms and humans. Photoreforming is a nat…
Impact of high-pressure columbite phase of titanium dioxide (TiO2) on catalytic photoconversion of plastic waste and Simultaneous hydrogen (H2) production
Thanh Tam Nguyen, Kaveh Edalati
Photoreforming is a sustainable photocatalytic process that degrades plastic waste while simultaneously producing hydrogen (H2) from water. However, this process has received limit…
Efficient Photocatalytic Hydrogen Production on Defective and Strained Black Bismuth (III) Oxide
Thanh Tam Nguyen, Kaveh Edalati
Bismuth (III) oxide (Bi2O3) has been highly studied as a photocatalyst for green hydrogen production due to its low band gap, yet its efficiency requires enhancement. This study sy…
Efficient photoreforming of plastic waste using a high-entropy oxide catalyst
Thanh Tam Nguyen, Kaveh Edalati
Simultaneous catalytic hydrogen (H2) production and plastic waste degradation under light, known as photoreforming, is a novel approach to green fuel production and efficient waste…
Reflectance spectral studies of spark plasma sintered tungsten carbide pellet
Toshiharu Chono, Hisashi Tokutomi, Kazuma Nakamura +1
We report the first spectral reflectance of tungsten carbide (WC) as potential solar selective absorber. We developed an optical measurement system for visible to mid-infrared spec…
Work-function and structures of (100), (111) and (101) Au surfaces with/without oxygen
Yukio Watanabe, S. Miyauchi, S. Kaku +2
The Work function (f)is fundamental for chemistry and electronics. Additionally, f can be used to examine the validity of the theoretical surfaces by comparing it with experimental…
Exploration of stable atomic configurations in graphene-like BCN systems by Bayesian optimization
Taichi Hara, Akira Kusaba, Yoshihiro Kangawa +4
h-BCN is an intriguing material system where the bandgap varies considerably depending on the atomic configuration, even at a fixed composition. Exploring stable atomic configurati…
Azide modification forming luminescent sp2 defects on single-walled carbon nanotubes for near-infrared defect photoluminescence
Keita Hayashi, Yoshiaki Niidome, Tamehito Shiga +5
Azide functionalization produced luminescent sp2-type defects on single-walled carbon nanotubes, by which defect photoluminescence appeared in near infrared regions (1116 nm). Chan…
High-pressure torsion processing of serine and glutamic acid: Understanding mechanochemical behavior of amino acids under astronomical impacts
Kaveh Edalati, Jacqueline Hidalgo-Jiménez, Thanh Tam Nguyen +2
Astronomical impacts by small solar system bodies (meteoroids, asteroids, comets, and transitional objects) are considered a mechanism for delivering amino acids and their polymeri…
Impact of high-pressure torsion on hydrogen production from photodegradation of polypropylene plastic wastes
Thanh Tam Nguyen, Kaveh Edalati
Plastic waste entering the environment through landfilling or improper disposal poses substantial risks to ecosystems and human health. Photoreforming is emerging as a clean photoc…
Brookite TiO2 as an active photocatalyst for photoconversion of plastic wastes to acetic acid and simultaneous hydrogen production: Comparison with anatase and rutile
Thanh Tam Nguyen, Kaveh Edalati
Photoreforming is a clean photocatalytic technology for simultaneous plastic waste degradation and hydrogen fuel production, but there are still limited active and stable catalysts…
Quadruple-well ferroelectricity and moderate switching barrier in defective wurtzite α-Al2S3: a first-principles study
Yuto Shimomura, Saneyuki Ohno, Katsuro Hayashi +1
Wurtzite-type ferroelectrics are highly promising for next-generation microelectronic devices due to their ferroelectric properties and integration with exiting semiconductors. How…
Polarization spontaneous and piezo: fundamentals and their implementation in ab initio calculations
Pawel Strak, Pawel Kempisty, Konrad Sakowski +5
Fundamental properties of spontaneous and piezo polarization are reformulated and critically reviewed. It was demonstrated that Landau definition of polarization as a dipole densit…
Slow polymer dynamics in poly(3-hexylthiophene) probed by muon spin relaxation
S. Takeshita, K. Hori, M. Hiraishi +5
The molecular dynamics of regioregulated poly(3-hexylthiophene) P3HT is investigated using muon spin relaxation (SR). The response of the SR spectra to a longitudinal magneti…
Mechanism of anatase-to-columbite TiO2 phase transformation via sheared phases: first-principles calculations and high-pressure torsion experiments
Jacqueline Hidalgo-Jimenez, Taner Akbay, Yuji Ikeda +2
High-pressure torsion (HPT) can facilitate phase transformations in titanium dioxide (TiO2) and stabilize its high-pressure columbite phase, as an active photocatalyst, by shear st…
Investigation of a high-entropy oxide photocatalyst for hydrogen generation by first-principles calculations coupled with experiments: Significance of electronegativity
Jacqueline Hidalgo-Jimenez, Taner Akbay, Tatsumi Ishihara +1
High-entropy oxides (HEOs), containing at least five principal cations, have recently emerged as promising photocatalysts for hydrogen production via water splitting. Despite their…
Machine learning to explore high-entropy alloys with desired enthalpy for room-temperature hydrogen storage: Prediction of density functional theory and experimental data
Shivam Dangwal, Yuji Ikeda, Blazej Grabowski +1
Safe and high-density storage of hydrogen, for a clean-fuel economy, can be realized by hydride-forming materials, but these materials should be able to store hydrogen at room temp…
AB-Type Dual-Phase High-Entropy Alloys as Negative Electrode of Ni-MH Batteries: Impact of Interphases on Electrochemical Performance
Shivam Dangwal, Yongtao Li, Kaveh Edalati
High-entropy alloys (HEAs) and their corresponding high-entropy hydrides are new potential candidates for negative electrode materials of nickel-metal hydride (Ni-MH) batteries. Th…
Breaks in the Hall-Petch Relationship after Severe Plastic Deformation of Magnesium, Aluminum, Copper, and Iron
Shivam Dangwal, Kaveh Edalati, Ruslan Z. Valiev +1
Strengthening by grain refinement via the Hall-Petch mechanism and softening by nanograin formation via the inverse Hall-Petch mechanism have been the subject of argument for decad…
Significance of interphase boundaries on activation of high-entropy alloys for room-temperature hydrogen storage
Shivam Dangwal, Kaveh Edalati
The ability of high-entropy alloys (HEAs) for hydrogen storage is a rather new topic in the hydrogen community. HEAs with the C14 Laves phase have shown a high potential to reversi…
High-entropy alloy TiV2ZrCrMnFeNi for hydrogen storage at room temperature with full reversibility and good activation
Shivam Dangwal, Kaveh Edalati
The development of alloys that are hydrogenated and dehydrogenated quickly and actively at room temperature is a challenge for the safe and compact storage of hydrogen. In this stu…
Augmentation of the Electron Counting Rule with Ising Model
Karol Kawka, Pawel Kempisty, Konrad Sakowski +4
On semiconductor growth surfaces, surface reconstructions appear. Estimation of the reconstructed structures is essential for understanding and controlling growth phenomena. In thi…