Mechanistically Guided Materials Chemistry: Synthesis of Ternary Nitrides, CaZrN2 and CaHfN2

CL Rom, A Novick, MJ McDermott… - Journal of the …, 2024 - ACS Publications
Recent computational studies have predicted many new ternary nitrides, revealing synthetic
opportunities in this underexplored phase space. However, synthesizing new ternary …

Insight into vertical piezoelectric characteristics regulated thermal transport in van der Waals two-dimensional materials

DH Wei, E Zhou, JY Xu, HM Wang, C Shen, HB Zhang… - Rare Metals, 2024 - Springer
The urgent demand of extreme (ultra-high/low) thermal conductivity materials is triggered by
the high-power device, where exploring the theories and mechanisms of regulating thermal …

Composite fayalite with 5% laterite soil and iron sand: structural properties and band gap calculation based on theoretical Kubelka–Munk, Taylor expansion, and self …

H Heryanto, D Tahir - JOM, 2023 - Springer
Abstractl The fayalite structure is successfully extracted from nickel slag. The iron sand (IS)
and laterite soil (LS) dopant inserted into fayalite system will lead to a significant …

Disorder-Mediated Structural Transformation in the Cu4TiSe4–xSx (0 ≤ x ≤ 4) System and Its Effects on the Thermal Transport Property

A Lakshan, B Koley, K Buxi, PR Raghuvanshi… - Chemistry of …, 2024 - ACS Publications
Copper-transition-metal chalcogenides can offer low-cost and environmentally benign
solutions to trap heat and heat to electric energy conversion. In this report, we present the …

Cu4TiTe4: Synthesis, Crystal Structure, and Chemical Bonding

A Lakshan, K Buxi, A Dutta, F Wang… - Inorganic Chemistry, 2023 - ACS Publications
A new compound Cu4TiTe4 in the Cu–Ti–Te ternary system is prepared using high-
temperature solid-state synthesis and characterized by single-crystal X-ray diffraction and …

Rattling induced bonding hierarchy in Li–Cu–Ti chalcotitanates for enhanced thermoelectric efficiency: a machine learning potential approach

H Minhas, S Das, RK Sharma, B Pathak - Journal of Materials …, 2024 - pubs.rsc.org
The nature of chemical bonding in crystalline solids significantly influences heat conduction,
impacting lattice thermal conductivity and, consequently, thermoelectric (TE) performance. In …

[PDF][PDF] Band gap of Fayalite for 5% Laterite Soil and Iron Sand Analysis from Theoretical Calculation of Kubelka–Munk equation, Taylor expansion, and Self-Consistent …

H Heryanto, D Tahir - 2022 - scholar.archive.org
In this study, the fayalite structure is extracted from nickel slag and band gap modi cation is
achieved by added with laterite soil and iron sand. We propose a precise estimation of the …