Progress and innovation of nanostructured sulfur cathodes and metal-free anodes for room-temperature Na–S batteries

• Marina Tabuyo-Martínez,
• Bernd Wicklein and
• Pilar Aranda

Beilstein J. Nanotechnol. 2021, 12, 995–1020, doi:10.3762/bjnano.12.75

• antimonene, silicene, and phosphorene [73][83][84]. These sheets are usually integrated with graphene and other conducting carbon nanomaterials to afford mechanical support, flexibility, and electrical conductivity, which results in high capacity values (500–2000 mAh·g−1) over at least 100 cycles [73][75][76

Nonadiabatic superconductivity in a Li-intercalated hexagonal boron nitride bilayer

• Kamila A. Szewczyk,
• Izabela A. Domagalska,
• Artur P. Durajski and
• Radosław Szczęśniak

Beilstein J. Nanotechnol. 2020, 11, 1178–1189, doi:10.3762/bjnano.11.102

• phosphorene [9][10][11] are mechanically stable only when placed on a substrate [12][13][14]. The substrate should be selected so that it changes the physical properties of the low-dimensional system as little as possible. In the case of graphene, the following substrate materials were used: Co [15], Ni [16

• in Ca-intercalated bilayer graphene) [5]. Also, this value is higher than that of other superconducting low-dimensional structures, e.g., TC ≈ 20 K for a Li- and Na-intercalated blue phosphorene bilayer [47], TC ≈ 16.5 K for a Li-intercalated black phosphorene bilayer [48], and TC≈ 10 K for a Li–MoS2

• -black phosphorene bilayers [48], and Li-blue phosphorene bilayers [47], i.e., 0.068, 0.094, and 0.099, respectively. These results were obtained for TC determined from the Allen–Dynes formula [80] assuming μ* = 0.1. In the BCS limit, the Eliashberg equations predict r→0. In the LOVC theory, we take into

Electronic and magnetic properties of doped black phosphorene with concentration dependence

• Ke Wang,
• Hai Wang,
• Min Zhang,
• Yan Liu and
• Wei Zhao

Beilstein J. Nanotechnol. 2019, 10, 993–1001, doi:10.3762/bjnano.10.100

• electronic structure and magnetism of doped phosphorene. It is found that the stability of doped phosphorene improves continuously with increasing the supercell size and decreasing impurity concentration due to the reduction of deformation. The stability of pristine phosphorene is invariable. The band

• structures of Si- and S-doped phosphorene without spin polarization always show metallic states suggesting the bandgap is insensitive to the in-plane size of the supercell and the dopant content. However, the results are fairly different once the spin polarization is taken into account. The band structures

• of Si- and S-doped phosphorene become those of a semimetal or a semiconductor as the in-plane size of the supercell goes up to 4 × 4 × 1 or 5 × 5 × 1 and the concentration goes down to 1.56% or 1%, respectively. In addition, we also observe that all Si- and S-doped phosphorene are magnetic, except

Electronic properties of several two dimensional halides from ab initio calculations

• Mohamed Barhoumi,
• Ali Abboud,
• Lamjed Debbichi,
• Moncef Said,
• Torbjörn Björkman,
• Dario Rocca and
• Sébastien Lebègue

Beilstein J. Nanotechnol. 2019, 10, 823–832, doi:10.3762/bjnano.10.82

• transition-metal dichalcogenides (TMDs) [9], phosphorene [10][11], and hexagonal boron nitride (h-BN) [8], among others [12][13], which are suitable for applications in electronic and photonic devices. However, in order to improve performance and possibly access new properties, the quest for new 2D compounds

• , as it was done with MoS2 [51] and phosphorene monolayers [52]. At the same time, the compounds studied could be relevant in optics and optoelectronics, to design new photodetectors, polarizing filters, or modulating devices, as has already been done with other two-dimensional compounds [53][54]. Also

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

• [11]. Polar materials were explored to trap LPSs, such as metal oxide [12][13] and metal-carbide nanoparticles [14]. Many two-dimensional (2D) materials, such as borophene [15], silicene [16], phosphorene [17], Mxene [18] and MoS2 [8], have been investigated as anchoring materials due to their large

Silicene, germanene and other group IV 2D materials

• Patrick Vogt

Beilstein J. Nanotechnol. 2018, 9, 2665–2667, doi:10.3762/bjnano.9.248

• the properties of 2D layers composed of elements that do not belong to group IV of the periodic table, for example, borophene [9], blue phosphorous (phosphorene) [10], or antimonene [11], most of which also show buckling. The aim of this Thematic Series was to address the theoretical background, the

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

Computational exploration of two-dimensional silicon diarsenide and germanium arsenide for photovoltaic applications

• Sri Kasi Matta,
• Chunmei Zhang,
• Yalong Jiao,
• Anthony O'Mullane and
• Aijun Du

Beilstein J. Nanotechnol. 2018, 9, 1247–1253, doi:10.3762/bjnano.9.116

• splitting, to name but a few. Although single elemental 2D materials from groups IV and V, such as like phosphorene and stanine, have been studied in detail [2][3], we focus our study on the less well-known combination of IV–V compound semiconductor materials at the two-dimensional scale for their possible

Ab initio study of adsorption and diffusion of lithium on transition metal dichalcogenide monolayers

• Xiaoli Sun and
• Zhiguo Wang

Beilstein J. Nanotechnol. 2017, 8, 2711–2718, doi:10.3762/bjnano.8.270

• -dimensional materials have higher exposure to the electrolyte [1]. Two-dimensional materials, such as Co3O4, NiO, phosphorene, SnS and V2O5 all exhibit an excellent capacity retention, rate performance, lower energy barrier and long cycling life compared to their bulk counterparts used as electrode materials

Adsorption and diffusion characteristics of lithium on hydrogenated α- and β-silicene

• Fadil Iyikanat,
• Ali Kandemir,
• Cihan Bacaksiz and
• Hasan Sahin

Beilstein J. Nanotechnol. 2017, 8, 1742–1748, doi:10.3762/bjnano.8.175

• attention [1][2]. This family consists of a large variety of materials such as hexagonal boron nitride (hBN) [3][4], silicene [5][6][7], germanene [8], transition-metal dichalcogenides (TMDs) [9][10][11][12][13][14], transition-metal trichalcogenides (TMTs) [15][16], phosphorene [17] and gallium

Nanostructures for sensors, electronics, energy and environment III

• Nunzio Motta

Beilstein J. Nanotechnol. 2017, 8, 1530–1531, doi:10.3762/bjnano.8.154

• ., silicene, phosphorene, transition metal dichalcogenides, MXenes), which now number more than 6,000. The topic of nanoparticles is the focus of this Thematic Series, the use of which spans from biosensing to gas detection and from removing pollutants from water to new generations of solar cells. The

Two-dimensional silicon and carbon monochalcogenides with the structure of phosphorene

• Dario Rocca,
• Ali Abboud,
• Ganapathy Vaitheeswaran and
• Sébastien Lebègue

Beilstein J. Nanotechnol. 2017, 8, 1338–1344, doi:10.3762/bjnano.8.135

• . R. Rao Road, Gachibowli, Hyderabad - 500 046, India 10.3762/bjnano.8.135 Abstract Phosphorene has recently attracted significant interest for applications in electronics and optoelectronics. Inspired by this material an ab initio study was carried out on new two-dimensional binary materials with a

• structure analogous to phosphorene. Specifically, carbon and silicon monochalcogenides have been considered. After structural optimization, a series of binary compounds were found to be dynamically stable in a phosphorene-like geometry: CS, CSe, CTe, SiO, SiS, SiSe, and SiTe. The electronic properties of

• these monolayers were determined using density functional theory. By using accurate hybrid functionals it was found that these materials are semiconductors and span a broad range of bandgap values and types. Similarly to phosphorene, the computed effective masses point to a strong in-plane anisotropy of

Zigzag phosphorene nanoribbons: one-dimensional resonant channels in two-dimensional atomic crystals

• Carlos. J. Páez,
• Dario. A. Bahamon,
• Ana L. C. Pereira and
• Peter. A. Schulz

Beilstein J. Nanotechnol. 2016, 7, 1983–1990, doi:10.3762/bjnano.7.189

• Paulo, SP, Brazil 10.3762/bjnano.7.189 Abstract We theoretically investigate phosphorene zigzag nanoribbons as a platform for constriction engineering. In the presence of a constriction at one of the edges, quantum confinement of edge-protected states reveals conductance peaks, if the edge is uncoupled

• materials; constrictions; edge states; phosphorene nanoribbons; quantum dots; Introduction Low-dimensional systems have attracted attention over the past fifty years since the development of semiconductor epitaxial growth and deposition of metallic thin films [1]. The early scenario, back in the 1960s, as

• ], namely phosphorene, is a promising system in which 2D properties together with strictly 1D chain behavior are present in different energy windows. This allows the same device to be tuned from a 1D to a 2D system by simply tuning the Fermi energy. In the present work we focus on the 1D energy window