title: Layered Metal Thiophosphite Materials: Magnetic, Electrochemical, and Electronic Properties.
abstract: Beyond graphene, transitional metal dichalcogenides, and black phosphorus, there are other layered materials called metal thiophosphites (MPSx), which are recently attracting the attention of scientists. Here we present the synthesis, structural and morphological characterization, magnetic properties, electrochemical performance, and the calculated density of states of different layered metal thiophosphite materials with a general formula MPSx, and as a result of varying the metal component, we obtain CrPS4, MnPS3, FePS3, CoPS3, NiPS3, ZnPS3, CdPS3, GaPS4, SnPS3, and BiPS4. SnPS3, ZnPS3, CdPS3, GaPS4, and BiPS4exhibit only diamagnetic behavior due to core electrons. By contrast, trisulfides with M = Mn, Fe, Co, and Ni, as well as CrPS4, are paramagnetic at high temperatures and undergo a transition to antiferromagnetic state on cooling. Within the trisulfides series the Néel temperature characterizing the transition from paramagnetic to antiferromagnetic phase increases with the increasing atomic number and the orbital component enhancing the total effective magnetic moment. Interestingly, in terms of catalysis NiPS3, CoPS3, and BiPS4show the highest efficiency for hydrogen evolution reaction (HER), while for the oxygen evolution reaction (OER) the highest performance is observed for CoPS3. Finally, MnPS3presents the highest oxygen reduction reaction (ORR) activity compared to the other MPSxstudied here. This great catalytic performance reported for these MPSxdemonstrates their promising capabilities in energy applications.
authors.affiliation: Division of Chemistry & Biological Chemistry, School of Physical and Mathematical Science, Nanyang Technological University , Singapore 637371, Singapore.
authors.forename: Carmen C
authors.initials: CC
authors.lastname: Mayorga-Martinez
authors.affiliation: Department of Inorganic Chemistry, University of Chemistry and Technology Prague , Technicka 5, 166 28 Prague 6, Czech Republic.
authors.forename: Zdeněk
authors.initials: Z
authors.lastname: Sofer
authors.affiliation: Department of Inorganic Chemistry, University of Chemistry and Technology Prague , Technicka 5, 166 28 Prague 6, Czech Republic.
authors.forename: David
authors.initials: D
authors.lastname: Sedmidubský
authors.affiliation: Department of Inorganic Chemistry, University of Chemistry and Technology Prague , Technicka 5, 166 28 Prague 6, Czech Republic.
authors.forename: Štěpán
authors.initials: Š
authors.lastname: Huber
authors.affiliation: Division of Chemistry & Biological Chemistry, School of Physical and Mathematical Science, Nanyang Technological University , Singapore 637371, Singapore.
authors.forename: Alex Yong Sheng
authors.identifier: http://orcid.org/0000-0001-9577-1681
authors.initials: AY
authors.lastname: Eng
authors.affiliation: Division of Chemistry & Biological Chemistry, School of Physical and Mathematical Science, Nanyang Technological University , Singapore 637371, Singapore.
authors.forename: Martin
authors.identifier: http://orcid.org/0000-0001-5846-2951
authors.initials: M
authors.lastname: Pumera
keywords: hydrogen evolution reaction; metal phosphorus chalcogenides; oxygen evolution reaction; oxygen reduction reaction; two-dimensional materials