Accelerated discovery of a large family of quaternary chalcogenides with very low lattice thermal conductivity
The development of efficient thermal energy management devices such as thermoelectrics
and barrier coatings often relies on compounds having low lattice thermal conductivity (κ l) …
and barrier coatings often relies on compounds having low lattice thermal conductivity (κ l) …
Scale-invariant machine-learning model accelerates the discovery of quaternary chalcogenides with ultralow lattice thermal conductivity
We design an advanced machine-learning (ML) model based on crystal graph convolutional
neural network that is insensitive to volumes (ie, scale) of the input crystal structures to …
neural network that is insensitive to volumes (ie, scale) of the input crystal structures to …
Quaternary Selenides EuLnCuSe3: Synthesis, Structures, Properties and In Silico Studies
MV Grigoriev, LA Solovyov, AV Ruseikina… - International Journal of …, 2022 - mdpi.com
In this work, we report on the synthesis, in-depth crystal structure studies as well as optical
and magnetic properties of newly synthesized heterometallic quaternary selenides of the …
and magnetic properties of newly synthesized heterometallic quaternary selenides of the …
Synthesis, Structure, and Properties of EuLnCuSe3 (Ln = Nd, Sm, Gd, Er)
OV Andreev, VV Atuchin, AS Aleksandrovsky… - Crystals, 2021 - mdpi.com
EuLnCuSe3 (Ln= Nd, Sm, Gd, Er), due to their complex composition, should be considered
new materials with the ability to purposefully change the properties. Samples of the …
new materials with the ability to purposefully change the properties. Samples of the …
Regularities of the property changes in the compounds EuLnCuS3 (Ln= La-Lu)
AV Ruseikina, VA Chernyshev, DA Velikanov… - Journal of Alloys and …, 2021 - Elsevier
This work contains the results of complex experimental research of the compounds
EuLnCuS 3 (Ln= La-Lu) enhanced by the DFT calculations. It is aimed at the data …
EuLnCuS 3 (Ln= La-Lu) enhanced by the DFT calculations. It is aimed at the data …
Synthesis, structure, and properties of EuScCuS3 and SrScCuS3
AV Ruseikina, MS Molokeev, VА Chernyshev… - Journal of Solid State …, 2021 - Elsevier
The crystal structures of the first-synthesized compound EuScCuS 3 and previously known
SrScCuS 3 are refined by Rietveld analysis of X-ray powder diffraction data. The structures …
SrScCuS 3 are refined by Rietveld analysis of X-ray powder diffraction data. The structures …
Synthesis, structural and spectroscopic properties of orthorhombic compounds BaLnCuS3 (Ln= Pr, Sm)
NO Azarapin, AS Aleksandrovsky, VV Atuchin… - Journal of Alloys and …, 2020 - Elsevier
Abstract Ternary sulfides BaPrCuS 3 and BaSmCuS 3 are first synthesized by the
sulphidation reaction of a mixture of related oxides and metal Cu in a flow of (CS 2, H 2 S) at …
sulphidation reaction of a mixture of related oxides and metal Cu in a flow of (CS 2, H 2 S) at …
Properties of oxysulfide phases and phase diagram of the Nd2S3–Nd2O3 system
SА Osseni, PO Andreev, AA Polkovnikov… - Journal of Solid State …, 2022 - Elsevier
We have determined the thermal characteristics and optical properties of the sulfide and
oxysulfide phases in the Nd 2 S 3-Nd 2 O 3 system. A congruent melting peak at …
oxysulfide phases in the Nd 2 S 3-Nd 2 O 3 system. A congruent melting peak at …
Synthesis, structure, melting and optical properties of three complex orthorhombic sulfides BaDyCuS3, BaHoCuS3 and BaYbCuS3
NO Azarapin, VV Atuchin, NG Maximov… - Materials Research …, 2021 - Elsevier
Abstract Complex sulfides BaDyCuS 3, BaHoCuS 3 and BaYbCuS 3 were synthesized in a
flow of sulfiding gases (CS 2, H 2 S) at 900 о C from standard solutions of lanthanide and …
flow of sulfiding gases (CS 2, H 2 S) at 900 о C from standard solutions of lanthanide and …
Features of phase equilibria and properties of phases in the Sb-Sm-Se system
MA Shtykova, VP Vorob'eva, PP Fedorov… - Journal of Solid State …, 2022 - Elsevier
The purpose of the paper is to establish the position of the tie-lines in the Sb-Sm-Se system
at 450° C and 620° C, to determine the optical band gap of the phases. The Sb …
at 450° C and 620° C, to determine the optical band gap of the phases. The Sb …