Prediction of new stable crystal structures for ternary ErAgTe2

Total and partial density of states of ZrX 2 (X = S, Se, and Te) compounds.

A New Ternary Alloy of Cr2CuAl and its Structures

Predicting Band Gaps with Hybrid Density Functionals

Discovery of hexagonal ternary phase Ti2InB2 and its evolution to layered boride TiB

Exploring the impact of van der Waals-corrected exchange-correlation functional on the physical properties of layered GeSe compound - ScienceDirect

Constructing Bi2O3/BiOIO3 triple heterojunction doped with Yb3+ ions as accelerating charge carriers transfer channel to enhance photocatalytic activity - ScienceDirect

Metals, Free Full-Text

The computed band structure and power factor at 600 K of (a) trigonal

Predicted maximum zT values at 600 K versus decomposition energy per

Ternary Borides Cr2AlB2, Cr3AlB4, and Cr4AlB6: The First Members of the Series (CrB2)nCrAl with n = 1, 2, 3 and a Unifying Concept for Ternary Borides as MAB-Phases

Three dimensional (3D) directional dependences of (a) Young modulus

COPEX: co-evolutionary crystal structure prediction algorithm for complex systems

Calculated defect formation enthalpies D H d,q in trigonal Tm oh Ag oh