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Condensed Matter, Volume 7, Issue 4

December 2022 - 21 articles

Cover Story: We employed robust machine learning interatomic potentials to explore the thermal expansion coefficients of suspended and supported carbon-based nanosheets. For the supported monolayers, the Lennard–Jones potential was employed to describe interactions between the considered monolayers and the substrate. Analyses of molecular dynamics trajectories reveal that the substrate can significantly reduce the formation of out-of-plane wrinkles and consequently affect the thermal expansion coefficients of 2D materials. The obtained results provide a useful vision of the role of the substrate in the complex thermal expansion responses of 2D materials. View this paper
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Articles (21)

  • Article
  • Open Access
2,452 Views
13 Pages

We report the ground state stabilization and corresponding electrical transport and magnetotransport properties of a 2D metallic system with an isotropic Fermi surface reconstructed by a charge density wave. The onset of the charge density wave is a...

  • Review
  • Open Access
3 Citations
4,009 Views
16 Pages

Progress and Perspectives of Spectroscopic Studies on Carbon K-Edge Using Novel Soft X-ray Pulsed Sources

  • Zeinab Ebrahimpour,
  • Marcello Coreno,
  • Luca Giannessi,
  • Massimo Ferrario,
  • Augusto Marcelli,
  • Federico Nguyen,
  • Seyed Javad Rezvani,
  • Francesco Stellato and
  • Fabio Villa

The development of novel coherent and brilliant sources, such as soft X-ray free electron laser (FEL) and high harmonic generation (HHG), enables new ultrafast analysis of the electronic and structural dynamics of a wide variety of materials. Soft X-...

  • Article
  • Open Access
9 Citations
3,102 Views
11 Pages

This research synthesised zinc oxide (ZnO) structure by a hydrothermal method. ZnO samples were prepared using different molarities of zinc (Zn) precursor, ranging from 0.10 to 0.16 M. Structural and morphological properties were characterised by X-r...

  • Article
  • Open Access
15 Citations
4,362 Views
20 Pages

Systematic Trends in Hybrid-DFT Computations of BaTiO3/SrTiO3, PbTiO3/SrTiO3 and PbZrO3/SrZrO3 (001) Hetero Structures

  • Roberts I. Eglitis,
  • Sergei Piskunov,
  • Anatoli I. Popov,
  • Juris Purans,
  • Dmitry Bocharov and
  • Ran Jia

We performed predictive hybrid-DFT computations for PbTiO3, BaTiO3, SrTiO3, PbZrO3 and SrZrO3 (001) surfaces, as well as their BaTiO3/SrTiO3, PbTiO3/SrTiO3 and PbZrO3/SrZrO3 (001) heterostructures. According to our hybrid-DFT computations for BO2 and...

  • Article
  • Open Access
4 Citations
2,995 Views
20 Pages

Physicochemical Properties of Ti3+ Self-Doped TiO2 Loaded on Recycled Fly-Ash Based Zeolites for Degradation of Methyl Orange

  • Iván Supelano García,
  • Carlos Andrés Palacio Gómez,
  • Marc H. Weber,
  • Indry Milena Saavedra Gaona,
  • Claudia Patricia Castañeda Martínez,
  • José Jobanny Martínez Zambrano,
  • Hugo Alfonso Rojas Sarmiento,
  • Julian Andrés Munevar Cagigas,
  • Marcos A. Avila and
  • Carlos Rettori
  • + 2 authors

The extensive production of coal fly ash by coal combustion is an issue of concern due to its environmental impact. TiO2-zeolite composites were synthesized, at low cost, using recycled coal fly ash from a local thermoelectric power plant to produce...

  • Feature Paper
  • Article
  • Open Access
9 Citations
2,620 Views
12 Pages

Polarons in Rock-Forming Minerals: Physical Implications

  • Boriana Mihailova,
  • Giancarlo Della Ventura,
  • Naemi Waeselmann,
  • Simone Bernardini,
  • Wei Xu and
  • Augusto Marcelli

The existence of thermally-activated quasiparticles in amphiboles is an important issue, as amphiboles are among the main hydrous complex silicate minerals in the Earth’s lithosphere. The amphibole structure consists of stripes of 6-membered TO...

  • Communication
  • Open Access
3 Citations
2,865 Views
6 Pages

The thermal expansion coefficient (TEC) of suspended two-dimensional (2D) nanomaterials is usually negative due to their ability for large out-of-plane deflection as the temperature increases. The presence of a substrate can nonetheless restrict the...

  • Feature Paper
  • Article
  • Open Access
2 Citations
2,767 Views
19 Pages

This paper reports the computational study of phosphorus-doped boron clusters PBn/PBn–/PBn+ (n = 4–8). First, a global search and optimization of these clusters were performed to determine the stable structures. We used density functional...

  • Article
  • Open Access
4 Citations
2,679 Views
10 Pages

The experimental discovery that compressed sulfur hydride exhibits superconducting transition temperature of Tc=203 K by Drozdov et al. (Nature 2015, 525, 73–76) sparked studies of compressed hydrides. This discovery was not a straigh...

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Condens. Matter - ISSN 2410-3896