ORCID Profile
0000-0001-5036-2833
Current Organisation
Linköping University
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Publisher: Wiley
Date: 05-08-2021
Abstract: Exploratory theoretical predictions in uncharted structural and compositional space are integral to materials discoveries. Inspired by M 5 SiB 2 (T2) phases, the finding of a family of laminated quaternary metal borides, M ′ 4 M ″SiB 2 , with out‐of‐plane chemical order is reported here. 11 chemically ordered phases as well as 40 solid solutions, introducing four elements previously not observed in these borides are predicted. The predictions are experimentally verified for Ti 4 MoSiB 2 , establishing Ti as part of the T2 boride compositional space. Chemical exfoliation of Ti 4 MoSiB 2 and select removal of Si and MoB 2 sub‐layers is validated by derivation of a 2D material, TiO x Cl y , of high yield and in the form of delaminated sheets. These sheets have an experimentally determined direct band gap of ≈4.1 eV, and display characteristics suitable for supercapacitor applications. The results take the concept of chemical exfoliation beyond currently available 2D materials, and expands the envelope of 3D and 2D candidates, and their applications.
Publisher: American Association for the Advancement of Science (AAAS)
Date: 13-08-2021
Abstract: A range of two-dimensional (2D) materials, including graphene and hexagonal boron nitride, have been synthesized and studied because of the unusual properties that occur when one dimension becomes very small. MXenes are a family of materials made of layers of inorganic transition metal carbides and nitrides that are a few atoms thick and are manufactured by selective etching. Attempts to make similar boridene materials have been challenging because of the reactive nature of boride phases and because the parent materials tend to dissolve rather than selectively etch. Zhou et al . synthesized boridene in the form of single-layer 2D molybdenum boride sheets by selective etching in aqueous hydrofluoric acid to produce sheets with ordered metal vacancies, opening up an additional family of materials for study. —MSL
Publisher: Springer Science and Business Media LLC
Date: 29-01-2013
Publisher: Informa UK Limited
Date: 09-12-2013
Publisher: Springer Science and Business Media LLC
Date: 25-04-2017
DOI: 10.1038/NCOMMS14949
Abstract: The exploration of two-dimensional solids is an active area of materials discovery. Research in this area has given us structures spanning graphene to dichalcogenides, and more recently 2D transition metal carbides (MXenes). One of the challenges now is to master ordering within the atomic sheets. Herein, we present a top-down, high-yield, facile route for the controlled introduction of ordered acancies in MXenes. By designing a parent 3D atomic laminate, (Mo 2/3 Sc 1/3 ) 2 AlC, with in-plane chemical ordering, and by selectively etching the Al and Sc atoms, we show evidence for 2D Mo 1.33 C sheets with ordered metal acancies and high electrical conductivities. At ∼1,100 F cm −3 , this 2D material exhibits a 65% higher volumetric capacitance than its counterpart, Mo 2 C, with no vacancies, and one of the highest volumetric capacitance values ever reported, to the best of our knowledge. This structural design on the atomic scale may alter and expand the concept of property-tailoring of 2D materials.
Publisher: American Chemical Society (ACS)
Date: 05-04-2023
Publisher: American Physical Society (APS)
Date: 12-01-2022
Publisher: Elsevier BV
Date: 08-2022
Publisher: Wiley
Date: 11-02-2202
Publisher: American Chemical Society (ACS)
Date: 06-03-2019
Publisher: American Physical Society (APS)
Date: 10-05-2013
Publisher: American Chemical Society (ACS)
Date: 23-09-2019
Publisher: American Chemical Society (ACS)
Date: 02-12-2209
Publisher: Elsevier BV
Date: 05-2020
Publisher: AIP Publishing
Date: 16-08-2010
DOI: 10.1063/1.3472280
Abstract: The substitution of oxygen for carbon in Ti2AlC M(n+1)AXn (MAX) phase, forming Ti2AlC1−xOx, has recently been reported. In this paper we simulate the effect of oxygen incorporation on mechanical and electronic properties using ab initio calculations. While the mechanical properties are not sensitive to the change in composition, the electronic properties can be tuned by varying the oxygen concentration. As the concentration increases, the conduction changes from in plane, typical of MAX phases, to conduction also in the c-direction. The conduction along c passes from insulating to n-type and then finally to p-type. These findings reveal an anisotropic semiconducting material.
Publisher: American Chemical Society (ACS)
Date: 13-10-2020
DOI: 10.1021/JACS.0C08113
Publisher: Wiley
Date: 06-04-2018
Abstract: Structural design on the atomic level can provide novel chemistries of hybrid MAX phases and their MXenes. Herein, density functional theory is used to predict phase stability of quaternary i-MAX phases with in-plane chemical order and a general chemistry (W
Publisher: Elsevier BV
Date: 02-2021
Location: Russian Federation
No related grants have been discovered for Martin Dahlqvist.