DFT calculations of the structure and stability of copper clusters on MoS₂

• Cara-Lena Nies and
• Michael Nolan

Beilstein J. Nanotechnol. 2020, 11, 391–406, doi:10.3762/bjnano.11.30

• character of Cu nanoclusters is preserved. Keywords: copper (Cu); density functional theory (DFT); 2D materials; molybdenum disulfide (MoS2); thin film nucleation; Introduction Since the successful exfoliation of monolayers of graphene by Novoselov et al., 2D materials have gained a large interest in a

Design and facile synthesis of defect-rich C-MoS₂/rGO nanosheets for enhanced lithium–sulfur battery performance

• Chengxiang Tian,
• Juwei Wu,
• Zheng Ma,
• Bo Li,
• Pengcheng Li,
• Xiaotao Zu and
• Xia Xiang

Beilstein J. Nanotechnol. 2019, 10, 2251–2260, doi:10.3762/bjnano.10.217

• construction of other high-performance metal disulfide electrodes for electrochemical energy storage. Keywords: annealing; double modification; high-performance electrodes; lithium–sulfur battery; molybdenum disulfide (MoS2); reduced graphene oxide (rGO); Introduction Lithium–sulfur (Li–S) batteries have

Improvement of the thermoelectric properties of a MoO₃ monolayer through oxygen vacancies

• Wenwen Zheng,
• Wei Cao,
• Ziyu Wang,
• Huixiong Deng,
• Jing Shi and
• Rui Xiong

Beilstein J. Nanotechnol. 2019, 10, 2031–2038, doi:10.3762/bjnano.10.199

• calculations; molybdenum trioxides; MoO3 monolayer; oxygen vacancies; thermoelectric properties; Introduction Thermoelectric materials that can directly convert temperature gradients to voltage gradients and vice versa provide a valid strategy to mitigate the global energy crisis. Owing to the unique ability

• and fuel cells [5]. Meanwhile, the thermoelectric application of TMO-based materials has been explored and their poor efficiency is still the major difficulty [6]. Among the TMOs, layered molybdenum trioxide (MoO3) has attracted attention as a potential electrode material in electrochemical products

• atoms, that are connected to different molybdenum atoms, as indicated by different colors in Figure 1a. The relaxed lattice constants of the MoO3 monolayer are a = 3.68 Å and b = 3.93 Å, which are similar to the bulk experimental data of 3.70 and 3.96 Å [30]. In Figure 1b, we give the electronic band

Flexible freestanding MoS₂-based composite paper for energy conversion and storage

• Florian Zoller,
• Jan Luxa,
• Thomas Bein,
• Dina Fattakhova-Rohlfing,
• Daniel Bouša and
• Zdeněk Sofer

Beilstein J. Nanotechnol. 2019, 10, 1488–1496, doi:10.3762/bjnano.10.147

• devices where high flexibility and mechanical strength are desired. Keywords: flexible composites; hydrogen evolution reaction (HER); lithium ion batteries (LIBs); molybdenum disulfide; nanoarchitectonics; supercapacitors; Introduction The world’s growing population has a nearly ever-increasing demand

• extend their application to large energy storage systems or to the electromobility sector, an improvement in the energy storage capacity is necessary. Layered dichalcogenide materials such as molybdenum sulfide (MoS2) are promising candidates for the replacement of the commercial anode material graphite

Kelvin probe force microscopy of the nanoscale electrical surface potential barrier of metal/semiconductor interfaces in ambient atmosphere

• Petr Knotek,
• Tomáš Plecháček,
• Jan Smolík,
• Petr Kutálek,
• Filip Dvořák,
• Milan Vlček,
• Jiří Navrátil and
• Čestmír Drašar

Beilstein J. Nanotechnol. 2019, 10, 1401–1411, doi:10.3762/bjnano.10.138

• crystals of 10–20 mm in length, 3–6 mm in width and up to 3 mm in thickness [31]. The surface of freshly cleaved layered Bi2Se3 single crystals was used as a substrate. The samples for the AFM measurement, Au nanoparticles (NPs) and thin films of gold or molybdenum, were prepared via DC sputtering in a SEM

Alloyed Pt₃M (M = Co, Ni) nanoparticles supported on S- and N-doped carbon nanotubes for the oxygen reduction reaction

• Stéphane Louisia,
• Yohann R. J. Thomas,
• Pierre Lecante,
• Marie Heitzmann,
• M. Rosa Axet,
• Pierre-André Jacques and
• Philippe Serp

Beilstein J. Nanotechnol. 2019, 10, 1251–1269, doi:10.3762/bjnano.10.125

• performed on a diffractometer dedicated to pair distribution function (PDF) analyses: graphite-monochromatized molybdenum radiation (0.07169 nm), solid state detection and low background setup. The samples were sealed in Lindemann glass capillaries (diameter 1.5 mm). The MEA cross-sections were prepared by

Tungsten disulfide-based nanocomposites for photothermal therapy

• Tzuriel Levin,
• Hagit Sade,
• Rina Ben-Shabbat Binyamini,
• Maayan Pour,
• Iftach Nachman and
• Jean-Paul Lellouche

Beilstein J. Nanotechnol. 2019, 10, 811–822, doi:10.3762/bjnano.10.81

• latter group, nanostructures of metals [38], metal oxides (including iron oxides) [39], and metal chalcogenides [40][41] were studied. Tungsten oxides [42] and molybdenum oxides [43] were studied, as well as their disulfides. The disulfides were tested mainly in the forms of nanosheets [44], nanoflakes

Trapping polysulfide on two-dimensional molybdenum disulfide for Li–S batteries through phase selection with optimized binding

• Sha Dong,
• Xiaoli Sun and
• Zhiguo Wang

Beilstein J. Nanotechnol. 2019, 10, 774–780, doi:10.3762/bjnano.10.77

• batteries. Keywords: Li–S batteries; molybdenum disulfide; phase transformation; Introduction To satisfy the increasing demand for high-capacity energy storage systems, rechargeable lithium–sulfur (Li–S) batteries have attracted much attention in recent years due to a high theoretical specific energy

Direct observation of the CVD growth of monolayer MoS₂ using in situ optical spectroscopy

• Claudia Beatriz López-Posadas,
• Yaxu Wei,
• Wanfu Shen,
• Daniel Kahr,
• Michael Hohage and
• Lidong Sun

Beilstein J. Nanotechnol. 2019, 10, 557–564, doi:10.3762/bjnano.10.57

• dichalcogenide (2D TMDC) materials. However, it is very challenging to carry out such studies during chemical vapor deposition (CVD). Here, we report the first, real time, in situ study of the CVD growth of 2D TMDCs. More specifically, the CVD growth of a molybdenum disulfide (MoS2) monolayer on sapphire

• spectroscopy; molybdenum disulfide (MoS2) monolayer; two-dimensional transition-metal dichalcogenides (2D TMDC); Introduction Two-dimensional transition metal dichalcogenide (2D TMDC) materials have drawn wide attention because of their fascinating physical and chemical properties [1][2][3][4][5][6]. Given

• is sketched in Figure 3a. High purity MoO3 powder is used as the precursor for molybdenum, whereas the sulfur is supplied by vaporizing solid sulfur. High purity Ar was used as a carrier gas and a flow rate of 150 sccm was maintained during the whole process. The air in the reactor was evacuated

Mo-doped boron nitride monolayer as a promising single-atom electrocatalyst for CO₂ conversion

• Qianyi Cui,
• Gangqiang Qin,
• Weihua Wang,
• Lixiang Sun,
• Aijun Du and
• Qiao Sun

Beilstein J. Nanotechnol. 2019, 10, 540–548, doi:10.3762/bjnano.10.55

• high cost and has limits to its practical application. Above all, molybdenum as a non-noble-metal doped on BN monolayers presents both great performance in this theoretical study and is practically feasible for future experimental research. Although the energy input for the last step is possibly

Choosing a substrate for the ion irradiation of two-dimensional materials

• Egor A. Kolesov

Beilstein J. Nanotechnol. 2019, 10, 531–539, doi:10.3762/bjnano.10.54

• atoms in WS2 [19] to almost 32 eV for molybdenum in MoS2 [18] (this range includes values of ≈5–7 eV for S and Se in 2D TMDs [18][19] and ≈22–23 eV in graphene [20][21][22]). However, in [1] it was shown that, except for participating in the defect formation in adsorbed monolayers, the substrate can

Femtosecond laser-assisted fabrication of chalcopyrite micro-concentrator photovoltaics

• Franziska Ringleb,
• Stefan Andree,
• Berit Heidmann,
• Jörn Bonse,
• Katharina Eylers,
• Owen Ernst,
• Torsten Boeck,
• Martina Schmid and
• Jörg Krüger

Beilstein J. Nanotechnol. 2018, 9, 3025–3038, doi:10.3762/bjnano.9.281

• state of the art. The electric back contact (molybdenum) covered with the highly-efficient light-absorber (CIGSe) on top is deposited on a carrier material (glass). A buffer layer (CdS), a window layer consisting of an intrinsic ZnO layer (ZnO) and an aluminum-doped ZnO layer (Al:ZnO) as transparent

• and opportunities of the novel approaches to realize this cell concept. The first approach for microabsorber fabrication summarized here is based on the growth of metallic precursors (indium islands) on laser-structured substrates (molybdenum on glass) by means of physical vapor deposition (nucleation

• approach). The second method presented is based on laser-induced forward transfer (LIFT). In this method, laser radiation is used to transfer parts of a donor film (copper, indium, gallium) from a transparent carrier medium (glass) to an acceptor substrate (molybdenum on glass) in a spatially controlled

Site-controlled formation of single Si nanocrystals in a buried SiO₂ matrix using ion beam mixing

• Xiaomo Xu,
• Thomas Prüfer,
• Daniel Wolf,
• Hans-Jürgen Engelmann,
• Lothar Bischoff,
• René Hübner,
• Karl-Heinz Heinig,
• Wolfhard Möller,
• Stefan Facsko,
• Johannes von Borany and
• Gregor Hlawacek

Beilstein J. Nanotechnol. 2018, 9, 2883–2892, doi:10.3762/bjnano.9.267

• ) irradiation was performed using a helium ion microscope (HIM) [24][32] (ORION NanoFab, Carl Zeiss). Ne+ ions with an energy of 25 keV were used for ion beam mixing and imaging with either He or Ne was kept to a minimum to avoid additional unintentional damage and mixing. A 10 μm molybdenum aperture was used

Optimization of Mo/Cr bilayer back contacts for thin-film solar cells

• Nima Khoshsirat,
• Fawad Ali,
• Vincent Tiing Tiong,
• Mojtaba Amjadipour,
• Hongxia Wang,
• Mahnaz Shafiei and
• Nunzio Motta

Beilstein J. Nanotechnol. 2018, 9, 2700–2707, doi:10.3762/bjnano.9.252

• .9.252 Abstract Molybdenum (Mo) is the most commonly used material as back contact in thin-film solar cells. Adhesion of Mo film to soda–lime glass (SLG) substrate is crucial to the performance of solar cells. In this study, an optimized bilayer structure made of a thin layer of Mo on an ultra-thin

• ; bilayer; chromium; DC sputtering; molybdenum; optical reflectance; Introduction Molybdenum (Mo) thin films are widely used as a back contact for photovoltaic devices such as Cu(In1−xGax)S2 (CIGS) and Cu2ZnSnS4 (CZTS) thin-film solar cells. The back contact is the first layer to be deposited and its

Recent highlights in nanoscale and mesoscale friction

• Andrea Vanossi,
• Dirk Dietzel,
• Andre Schirmeisen,
• Ernst Meyer,
• Rémy Pawlak,
• Thilo Glatzel,
• Marcin Kisiel,
• Shigeki Kawai and
• Nicola Manini

Beilstein J. Nanotechnol. 2018, 9, 1995–2014, doi:10.3762/bjnano.9.190

• of most moving machinery parts, it has the disadvantages of a relatively large viscous drag and the risk of a transition to the boundary regime under certain, sometimes uncontrolled conditions. Just recently, a few systems based on layered materials, such as graphene or molybdenum chalcogenides have

Toward the use of CVD-grown MoS₂ nanosheets as field-emission source

• Geetanjali Deokar,
• Nitul S. Rajput,
• Junjie Li,
• Francis Leonard Deepak,
• Wei Ou-Yang,
• Nicolas Reckinger,
• Carla Bittencourt,
• Jean-Francois Colomer and
• Mustapha Jouiad

Beilstein J. Nanotechnol. 2018, 9, 1686–1694, doi:10.3762/bjnano.9.160

• ; molybdenum disulfide (MoS2); nanosheets; sulfurization; transmission electron microscopy (TEM); Introduction There is a great interest in the development of one- and two-dimensional (1D and 2D) materials for field-emission (FE) based cathodes using various nanostructured materials [1] for applications in

Free-radical gases on two-dimensional transition-metal disulfides (XS₂, X = Mo/W): robust half-metallicity for efficient nitrogen oxide sensors

• Chunmei Zhang,
• Yalong Jiao,
• Fengxian Ma,
• Sri Kasi Matta,
• Steven Bottle and
• Aijun Du

Beilstein J. Nanotechnol. 2018, 9, 1641–1646, doi:10.3762/bjnano.9.156

• ][16], phosphorene [9], siligraphene (SiC5) [10] and molybdenum disulfide (MoS2) [11][17] possess a high specific surface area and high electrical conductivity making them the ideal candidates for gas sensors. In particular, investigations of XS2-based (X = Mo, W) monolayer nanodevices demonstrate that

A novel copper precursor for electron beam induced deposition

• Caspar Haverkamp,
• George Sarau,
• Mikhail N. Polyakov,
• Ivo Utke,
• Marcos V. Puydinger dos Santos,
• Silke Christiansen and
• Katja Höflich

Beilstein J. Nanotechnol. 2018, 9, 1220–1227, doi:10.3762/bjnano.9.113

• microscopy (TEM) images onto the nanostructures were acquired with a Gatan Orius CCD-Camera inside a CM12 (Phillips) at an accelerating voltage of 120 kV equipped with a EDAX Genesis silicon drift detector. For TEM investigations the nanostructures were directly deposited onto Omniprobe molybdenum TEM grids

A review of carbon-based and non-carbon-based catalyst supports for the selective catalytic reduction of nitric oxide

• Shahreen Binti Izwan Anthonysamy,
• Syahidah Binti Afandi,
• Mehrnoush Khavarian and
• Abdul Rahman Bin Mohamed

Beilstein J. Nanotechnol. 2018, 9, 740–761, doi:10.3762/bjnano.9.68

Sensing behavior of flower-shaped MoS₂ nanoflakes: case study with methanol and xylene

• Maryam Barzegar,
• Masoud Berahman and
• Azam Iraji zad

Beilstein J. Nanotechnol. 2018, 9, 608–615, doi:10.3762/bjnano.9.57

• process is known as one of the scalable methods to synthesize MoS2 nanostructures. In this study, the gas sensing properties of flower-shaped MoS2 nanoflakes, which were prepared from molybdenum trioxide (MoO3) by a facile hydrothermal method, have been studied. Material characterization was performed

Review: Electrostatically actuated nanobeam-based nanoelectromechanical switches – materials solutions and operational conditions

• Liga Jasulaneca,
• Jelena Kosmaca,
• Raimonds Meija,
• Jana Andzane and
• Donats Erts

Beilstein J. Nanotechnol. 2018, 9, 271–300, doi:10.3762/bjnano.9.29

• transfer results in an increase of adhesion in the contact and also makes the surfaces rougher, thus increasing resistance in the contact. For self-mated contacts, for example, in an all-molybdenum switch, material transfer was reported to be a possible cause for the observed contact resistance rise after

• difficult to fabricate due to their high intrinsic stress, large surface roughness and grain size, inherent porosity, and low strength. To date, there are rather few reports on metallic NEM switches [17][18][114][115]. Molybdenum is attractive as a NEM switch material due to its high melting temperature

• (2622 °C [116]) and Young’s modulus (290-380 GPa) [117]. Recent reports on Mo-based NEM switches have proven the robustness of the material. An all-molybdenum 3T NEM switch was fabricated by a top-down approach by filling Mo into a SiO2 mold, prepared by a one-mask photolithography process. This process

Synthesis and characterization of electrospun molybdenum dioxide–carbon nanofibers as sulfur matrix additives for rechargeable lithium–sulfur battery applications

• Ruiyuan Zhuang,
• Shanshan Yao,
• Maoxiang Jing,
• Xiangqian Shen,
• Jun Xiang,
• Tianbao Li,
• Kesong Xiao and
• Shibiao Qin

Beilstein J. Nanotechnol. 2018, 9, 262–270, doi:10.3762/bjnano.9.28

• , Changsha Research Institute of Mining and Metallurgy, Changsha, 412212, P. R. China School of Mathematics and Physics, Jiangsu University of Science and Technology, Zhenjiang, 212013, P. R. China 10.3762/bjnano.9.28 Abstract One-dimensional molybdenum dioxide–carbon nanofibers (MoO2–CNFs) were prepared

• . Molybdenum dioxide (MoO2) materials are particularly attractive among the transition-metal oxides due to their high melting point, high chemical stability and low electrical resistivity (190 S cm−1). This material has great potential for applications in several fields such as sensing, catalysis

One-step chemical vapor deposition synthesis and supercapacitor performance of nitrogen-doped porous carbon–carbon nanotube hybrids

• Egor V. Lobiak,
• Lyubov G. Bulusheva,
• Ekaterina O. Fedorovskaya,
• Yury V. Shubin,
• Pavel E. Plyusnin,
• Pierre Lonchambon,
• Boris V. Senkovskiy,
• Zinfer R. Ismagilov,
• Emmanuel Flahaut and
• Alexander V. Okotrub

Beilstein J. Nanotechnol. 2017, 8, 2669–2679, doi:10.3762/bjnano.8.267

• and porous carbon on the surface of MgO impregnated with bimetallic (transition metal/molybdenum) catalyst precursors. Acetonitrile was added to the methane feedstock to incorporate nitrogen into the graphitic network, which is beneficial for the electrochemical performance of the carbon materials [21

• carbon [2]. Conclusion Nitrogen-doped porous carbon/MWCNT hybrid materials were synthesized using cluster molecules containing molybdenum and transition metal as a source of catalytic nanoparticles for the CCVD synthesis. The cluster molecules were distributed over a MgO support before oxidation in air

Intercalation of Si between MoS₂ layers

• Rik van Bremen,
• Qirong Yao,
• Soumya Banerjee,
• Deniz Cakir,
• Nuri Oncel and
• Harold J. W. Zandvliet

Beilstein J. Nanotechnol. 2017, 8, 1952–1960, doi:10.3762/bjnano.8.196

• , Grand Forks, ND 58202, USA 10.3762/bjnano.8.196 Abstract We report a combined experimental and theoretical study of the growth of sub-monolayer amounts of silicon (Si) on molybdenum disulfide (MoS2). At room temperature and low deposition rates we have found compelling evidence that the deposited Si

• . (Adv. Mater. 2014, 26, 2096–2101) that silicon forms a highly strained epitaxial layer on MoS2. Finally, density functional theory calculations indicate that silicene clusters encapsulated by MoS2 are stable. Keywords: intercalation; molybdenum disulfide; scanning tunneling microscopy; silicene; two

• Fermi level. Van der Waals materials with a band gap do not suffer from this limitation. Molybdenum disulfide (MoS2) is a member of the transition metal dichalcogenide (TMD) family that belongs to the class of van der Waals materials. Bulk MoS2 has a band gap of 1.29 eV, which increases to 1.90 eV for a

3D continuum phonon model for group-IV 2D materials

• Morten Willatzen,
• Lok C. Lew Yan Voon,
• Appala Naidu Gandi and
• Udo Schwingenschlögl

Beilstein J. Nanotechnol. 2017, 8, 1345–1356, doi:10.3762/bjnano.8.136

• molybdenum disulfide. The origin of quadratic modes is clarified. Mode coupling for both graphene and silicene is obtained, contrary to previous works. Our model allows us to predict the existence of confined optical phonon modes for the group-IV materials but not for molybdenum disulfide. A comparison of

• the long-wavelength modes to density-functional results is included. Keywords: graphene; molybdenum disulfide; phonon; silicene; two-dimensional materials; Introduction Phonon spectra in two-dimensional (2D) nanomaterials have almost exclusively been computed using density-functional theory (DFT

• beyond the analytical solutions sought for in the current manuscript. Furthermore, we have included a study of a well-known compound 2D material (molybdenum disulfide MoS2) in order to further understand the properties derived for the elemental materials. Results and Discussion Continuum model The 2D