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In this work we have employed density-functional theory with hybrid functionals to investigate the atomic and electronic structure of bare and hydrogenated Mn doped ZnO nanowires with small diameter. We determine changes in magnetic and…

Materials Science · Physics 2018-10-23 A. L. Rosa , L. L. Tacca , E. N. Lima , Th. Frauenheim

Chemical transformation of existing two-dimensional (2D) materials can be crucial in further expanding the 2D crystal palette required to realize various functional heterostructures. In this work, we demonstrate a 2D 'on-stack' chemical…

If metal surfaces are exposed to sufficiently oxygen-rich environments, oxides start to form. Important steps in this process are the dissociative adsorption of oxygen at the surface, the incorporation of O atoms into the surface, the…

Materials Science · Physics 2007-05-23 Karsten Reuter

MnAs has been grown by means of MBE on the GaN(0001)-(1x1) surface. Two options of initiating the crystal growth were applied: (a) a regular MBE procedure (manganese and arsenic were delivered simultaneously) and (b) subsequent deposition…

Materials Science · Physics 2009-11-13 I. A. Kowalik , B. J. Kowalski , R. J. Iwanowski , K. Kopalko , E. Łusakowska , M. Sawicki

Structure and morphology play a crucial role in enhancing the biomimetic oxidase activity of nanozymes. In this study, a facile \emph{in situ} chemical oxidation strategy was employed to synthesize MOF-derived MnO$_x$, utilizing the…

Mesoscale and Nanoscale Physics · Physics 2025-12-22 Udisha Duhan , Arnab Pan , Ritesh Dubey , Samar Layek , Sushil Kumar , Tapas Goswami

We present a survey of the structural and magnetic properties of submonolayer transition metal dioxides on the (001) surfaces of the heavy face-centered cubic (fcc) noble metals Ir and Pt performed by spin-averaged scanning tunneling…

Materials Science · Physics 2019-10-08 M. Schmitt , C. H. Park , P. Weber , A. Jäger , J. Kemmer , M. Vogt , M. Bode

Manganese dioxide nanorods were synthesized using novel solution route. The phase and microstructure of synthesized materials were identified using X ray diffraction, scanning electron and transmission electron microscopic measurements. The…

Materials Science · Physics 2015-10-06 Veenu Kumari , Balram Tripathi , Ambesh Dixit

Rapidly increasing interest in low-dimensional materials is driven by the emerging requirement to develop nanoscale solid-state devices with novel functional properties that are not available in three-dimensional bulk phases. Among the…

Materials Science · Physics 2024-02-27 Rui-Qi Wang , Tianmin Lei , Yue-Wen Fang

The marriage between a two-dimensional layered material (2DLM) and a complex transition metal oxide (TMO) results in a variety of physical and chemical phenomena that would not have been achieved in either material alone. Interesting recent…

Materials Science · Physics 2019-05-09 Kyeong Tae Kang , Jeongmin Park , Dongseok Suh , Woo Seok Choi

Topochemically transforming layered non-van der Waals solid into two dimensional (2D) materials involves selective etching reactions with atomic precision. The element-specific, structure-sensitive etching at nanoscale urgently requires…

Materials Science · Physics 2025-05-20 Tao Hu , Shihao Zhu , Zhaojin Li , Da Li , Hongyang Liu , Chao Zhang , Xiaohui Wang

Carbon monoxide and nitrogen are among the potentially interesting high-energy density materials. However, in spite of the physical similarities of the molecules, they behave very differently at high pressures. Using density functional…

Materials Science · Physics 2013-12-06 Zamaan Raza , Chris J. Pickard , Carlos Pinilla , A. Marco Saitta

We report on the structural and magnetic properties of single and double atomic layers of Mn on a clean and unreconstructed Nb(110) substrate. Low-temperature scanning tunneling spectroscopy measurements reveal a proximity-induced…

Using X-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM) and Raman spectroscopy techniques we investigate the incorporation of Manganese (Mn) in monolayer (1L)-MoS$_2$ grown on sapphire substrates by microcavity based…

Materials Science · Physics 2022-12-09 Poulab Chakrabarti , Santosh Kumar Yadav , Swarup Deb , Subhabrata Dhar

Based on density functional theory (DFT), we performed first-principle studies on the electronic structure, magnetic state and optical properties of two-dimensional (2D) transition-metal phosphorous trichalcogenide MnPX$_3$ (X=S and Se).…

Materials Science · Physics 2021-12-23 Juntao Yang , Yong Zhou , Qilin Guo , Yuriy Dedkov , Elena Voloshina

Recent chemical exfoliation of layered MAX phase compounds to novel two-dimensional transition metal carbides and nitrides, so called MXenes, has brought new opportunity to materials science and technology. This review highlights the…

Materials Science · Physics 2017-05-09 Mohammad Khazaei , Ahmad Ranjbar , Masao Arai , Taizo Sasaki , Seiji Yunoki

We have studied the segregation of P and B impurities during oxidation of the Si(100) surface by means of combined static and dynamical first-principles simulations based on density functional theory. In the bare surface, dopants segregate…

Materials Science · Physics 2008-07-23 Daniel J. Cole , Mike C. Payne , Lucio Colombi Ciacchi

Systematic studies of the two high-temperature monolayer oxygen structures that exist on the (110) tungsten surface were performed using low-energy electron microscopy and diffraction measurements. Our work questions the commonly accepted…

Materials Science · Physics 2020-07-15 Dorota Wilgocka-Ślęzak , Tomasz Giela , Kinga Freindl , Nika Spiridis , Józef Korecki

Investigation on oxidation resistance of two-dimensional (2D) materials is critical for many of their applications, because 2D materials could have higher oxidation kinetics than their bulk counterparts due to predominant surface atoms and…

Materials Science · Physics 2014-03-06 Lu Hua Li , Jiri Cervenka , Kenji Watanabe , Takashi Taniguchi , Ying Chen

MnAs films grown on GaAs (001) exhibit a progressive transition between hexagonal (ferromagnetic) and orthorhombic (paramagnetic) phases at wide temperature range instead of abrupt transition during the first-order phase transition. The…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 R. Magalhaes-Paniago , L. N. Coelho , B. R. A. Neves , H. Westfahl , F. Iikawa , L. Daweritz , C. Spezzani , M. Sacchi

Rational combination holds the key for non-precious metal oxides and economic carbon materials to the creation of high performance air electrode materials. Carbon nanotubes (CNTs)-supported manganese oxides composite catalysts (CMnCs) were…

Applied Physics · Physics 2018-04-10 Ling Sun , Danxian Liu