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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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

介观与纳米尺度物理 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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).…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

材料科学 · 物理学 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…

介观与纳米尺度物理 · 物理学 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…

应用物理 · 物理学 2018-04-10 Ling Sun , Danxian Liu