Defect engineering in multinary earth‐abundant chalcogenide photovoltaic materials
Application of zinc‐blende‐related chalcogenide absorbers such as CdTe and Cu (In, Ga)
Se2 (CIGSe) has enabled remarkable advancement in laboratory‐and commercial‐scale …
Se2 (CIGSe) has enabled remarkable advancement in laboratory‐and commercial‐scale …
Ultralow Lattice Thermal Conductivity at Room Temperature in Cu4TiSe4
Ultralow thermal conductivity draws great attention in a variety of fields of applications such
as thermoelectrics and thermal barrier coatings. Herein, the crystal structure and transport …
as thermoelectrics and thermal barrier coatings. Herein, the crystal structure and transport …
Sulvanites: The Promise at the Nanoscale
The class of ternary copper chalcogenides Cu3MX4 (M= V, Nb, Ta; X= S, Se, Te), also
known as the sulvanite family, has attracted attention in the past decade as featuring …
known as the sulvanite family, has attracted attention in the past decade as featuring …
Systematic study on the optoelectronic and elastic properties of Cu-based ternary chalcogenides: using ab-initio approach
The first principles-based GGA approach is used to investigate the elastic and optoelectronic
properties of Cu-based ternary chalcogenides QCu 3 Te 4 (Q= Ta, V, Nb) to explore their …
properties of Cu-based ternary chalcogenides QCu 3 Te 4 (Q= Ta, V, Nb) to explore their …
Challenges Reconciling Theory and Experiments in the Prediction of Lattice Thermal Conductivity: The Case of Cu-Based Sulvanites
I Caro-Campos, MM González-Barrios… - Chemistry of …, 2024 - ACS Publications
The exploration of large chemical spaces in search of new thermoelectric materials requires
the integration of experiments, theory, simulations, and data science. The development of …
the integration of experiments, theory, simulations, and data science. The development of …
Effect of Nb, Ta and V replacements on electronic, optical and elastic properties of NbCu3Se4: A GGA+ U study
Z Abbas, N Jabeen, A Hussain, F Kabir… - Journal of Solid State …, 2021 - Elsevier
Abstract Development of efficient, renewable and eco-friendly energy sources is on rise and
is the main quest of the researchers to meet the energy challenges of future due to vanishing …
is the main quest of the researchers to meet the energy challenges of future due to vanishing …
The electronic structure of sulvanite structured semiconductors Cu 3 MCh 4 (M= V, Nb, Ta; Ch= S, Se, Te): prospects for optoelectronic applications
The electronic structure of a family of ternary copper chalcogenide systems Cu3MCh4 (M=
V, Nb, Ta; Ch= S, Se, Te) has been explored to ascertain the compounds' potential for …
V, Nb, Ta; Ch= S, Se, Te) has been explored to ascertain the compounds' potential for …
A DFT+ U study of the effect of transition metal replacements on optoelectronic and elastic properties of TmCu3S4 (Tm= V, Ta, Nb)
One of the main goals of researchers is to develop renewable, ecologic and efficient energy
sources to meet energy needs in the near future. In this context, chalcogenide materials are …
sources to meet energy needs in the near future. In this context, chalcogenide materials are …
Outstanding Thermoelectric Performance of MCu3X4 (M = V, Nb, Ta; X = S, Se, Te) with Unaffected Band Degeneracy under Pressure
E Haque - ACS Applied Energy Materials, 2021 - ACS Publications
Few authors reported high TE performance in MCu3X4, reaching the figure of merit (ZT)
above 2 at 1000 K, from first-principles calculations neglecting electron–phonon scattering …
above 2 at 1000 K, from first-principles calculations neglecting electron–phonon scattering …
Thin film preparation and characterization of wide band gap Cu3TaQ4 (Q= S or Se) p-type semiconductors
The structural, optical, and electronic properties of thin films of a family of wide band gap
(Eg> 2.3 eV) p-type semiconductors Cu3TaQ4 (Q= S or Se) are presented. Thin films …
(Eg> 2.3 eV) p-type semiconductors Cu3TaQ4 (Q= S or Se) are presented. Thin films …