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We propose a systematic approach to obtain various forms of insulating titanium oxynitrides Ti$_{n}$N$_{2}$O$_{2n-3}$ and we conduct a detailed study on its $n=2$ case, Ti$_{2}$N$_{2}$O. We study the energetics and the electronic structures…

Materials Science · Physics 2019-03-06 Yuta Aoki , Sinisa Coh , Steven G. Louie , Marvin L. Cohen , Susumu Saito

Sodium-titanate \ce{Na2Ti3O7} (NTO) is regarded as a highly promising anode material with a very low voltage for Na-ion batteries and capacitors, but suffered from relatively low specific capacity and poor electron conductivity. Here we…

Materials Science · Physics 2020-06-19 Chol-Jun Yu , Suk-Gyong Hwang , Yong-Chol Pak , Song-Hyok Choe , Jin-Song Kim , Kum-Chol Ri

The rational design of hydrogen evolution reaction (HER) electrocatalysts which are competitive with platinum is an outstanding challenge to make power-to-gas technologies economically viable. Here, we introduce the delafossites PdCrO$_2$,…

Among the wide bandgap semiconductors, TiO$_{2}$ is the highly stable and cost-efficient semiconductor used for the different photocatalysis processes like water splitting, chemical waste degradation, anti-micro bacterial activities, and…

Materials Science · Physics 2022-07-27 Manish K Vishwakarma , Manjeet , Puneet Jain

Employing electrons for direct control of nanoscale reaction is highly desirable since it provides fabrication of nanostructures with different properties at atomic resolution and with flexibility of dimension and location. Here, applying…

Two-dimensional (2D) heterostructuring is a versatile methodology for designing nanoarchitecture catalytic systems that allow for reconstruction and modulation of interfaces and electronic structures. However, catalysts with such structures…

The honeycomb lattice iridate Na$_2$IrO$_3$ shows frustrated magnetism and can potentially display Kitaev-like exchange interactions. Recently, it was shown that the electronic properties of the surface of crystalline Na$_2$IrO$_3$ can be…

Materials Science · Physics 2018-09-25 Aastha Vasdev , Lalit Yadav , Suman Kamboj , Kavita Mehlawat , Yogesh Singh , Goutam Sheet

Nanopores (NPs) grown by anodizing can be partially hidden beneath a relatively compact surface oxide layer, which limits the volumetric surface area of these nanostructures. In this work, nitinol (NiTi) alloy was anodized in an electrolyte…

Materials Science · Physics 2025-12-29 S. A. Mousavi , A. Moshfeghi , F. Davoodian , E. Salahinejad

Tailored Pt nanoparticle catalysts are promising candidates to accelerate the oxygen reduction reaction (ORR) in fuel cells. However, the search for active nanoparticle catalysts is hindered by laborious effort of experimental synthesis and…

Chemical Physics · Physics 2018-07-27 Marlon Rueck , Aliaksandr Bandarenka , Federico Calle-Vallejo , Alessio Gagliardi

The diffusion of superoxide radical anions on the surface of TiO2 catalysts is theoretically considered as an important step in the kinetics of photocatalytic oxidation of toxic pollutants. A detailed analysis is performed to discriminate…

Chemical Physics · Physics 2015-06-16 R. Tsekov , E. Evstatieva , P. G. Smirniotis

The incorporation of impurities during the chemical synthesis of nanomaterials is usually uncontrolled and rarely reported because of the formidable challenge that constitutes measuring trace amounts of often light elements with sub…

The solid-state reaction was used to synthesize CoO2 nanostructured material. Cobalt nitrate tetrahydrate and sodium oxide (NaOH) were combined to produce CoO2 nanostructured material. The three synthesized working electrodes were each…

Materials Science · Physics 2025-02-12 Shoaib Akram , Muneeb ur Rahman , Fazli Maula , Osama Tariq Satti , Shahbaz Afzal , Fawad Ali

Although hydrogen generation by water electrolysis is the cheapest of all other available sources, water splitting still occurs with sluggish kinetics. It is a challenging barrier for H2 production on a large scale. Moreover, research is…

We report the existence of metallic two-dimensional electron gases (2DEGs) at the (001) and (101) surfaces of bulk-insulating TiO2 anatase due to local chemical doping by oxygen vacancies in the near-surface region. Using angle-resolved…

Materials Science · Physics 2015-07-15 T. C. Rödel , F. Fortuna , F. Bertran , M. Gabay , M. J. Rozenberg , A. F. Santander-Syro , P. Le Fèvre

Alloy nanocatalysts have found broad applications ranging from fuel cells to catalytic converters and hydrogenation reactions. Despite extensive studies, identifying the active sites of nanocatalysts remains a major challenge due to the…

Photocatalytic CO2 reduction is limited by inefficient CO2 activation and poor solar spectrum utilization. Here, we discovered and revealed the vibration coupling mechanism among photons, phonons, and molecules, which remarkably enhances…

Materials Science · Physics 2025-08-28 Chen Sun , Yimin Xuan

Transition metal oxides have been extensively studied and utilized as efficient catalysts. However, the strongly correlated behavior which often results in intriguing emergent phenomena in these materials has been mostly overlooked in…

NiCo2O4 of varying nanostrucutures ranging from nanowires, nanoplates to nano-plates@nanowires were successfully grown on microporous (MP) Ni foams via one-step hydrothermal process. The investigation of electrochemical capacitance favors…

Materials Science · Physics 2016-04-05 Qin Guo , Mengjie Xu , Rongjun Xu , Ying Zhao , Boyun Huang

Photocatalytic nitrogen reduction is the promising way for ammonia production, the question now is that the search of highly active and low active catalysts. Based on the first-principles calculation, single boron atom is anchored on the…

Materials Science · Physics 2019-10-21 Hao-Ran Zhu , Shi-Hao Wei , Da-Yin Hua

The recent identification of strongly bound excitons in room temperature anatase TiO$_2$ single crystals and nanoparticles underscores the importance of bulk many-body effects in samples used for applications. Here, for the first time, we…

Mesoscale and Nanoscale Physics · Physics 2018-01-16 Edoardo Baldini , Tania Palmieri , Enrico Pomarico , Gerald Auböck , Majed Chergui