First principles insight on structural, opto-electronic and transport properties of novel zintl-phase AMg2Bi2 (A=Sr, Ba)

Ground state electronic structure, optical and thermoelectric response of Zintl phase MgAl2X2 (X= C, Sb) for renewable energy applications

(2022) Kaneez Fatima et al.   PHYSICA B-CONDENSED MATTER

Electronic, optical, and thermoelectric investigations of Zintl phase AAg2Se2 (A=Sr, Ba) compounds: A first-principle approach

(2022) Debidatta Behera et al.   JOURNAL OF SOLID STATE CHEMISTRY

Anionic variations for BaMg2X2 (X = N to Bi) compounds by density functional theory

(2021) G. Murtaza et al.   European Physical Journal Plus

Improving the thermoelectric figure of merit

(2021) H. Julian Goldsmid   SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

An insight into the electronic, optical and transport properties of promising Zintl-phase BaMg2P2

(2021) Junaid Munir et al.   PHYSICA B-CONDENSED MATTER

Thermoelectric Properties of Zintl Phase YbMg2Sb2

(2020) Ting Zhou et al.   CHEMISTRY OF MATERIALS

Materials Informatics for Heat Transfer: Recent Progresses and Perspectives

(2019) Shenghong Ju et al.   Nanoscale and Microscale Thermophysical Engineering

Optical properties of novel ASiP2 (A=Ca, Sr) chalcopyrites: first-principle study

(2018) S. R. Thahirunnisa et al.   APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING

Thermoelectric properties of AMg2X2, AZn2Sb2 (A = Ca, Sr, Ba; X = Sb, Bi), and Ba2ZnX2 (X = Sb, Bi) Zintl compounds

(2017) Jifeng Sun et al.   Journal of Materials Chemistry A

Key issues in development of thermoelectric power generators: High figure-of-merit materials and their highly conducting interfaces with metallic interconnects

(2016) Dinesh K. Aswal et al.   ENERGY CONVERSION AND MANAGEMENT

Thermoelectric properties of Bi-based Zintl compounds Ca1−xYbxMg2Bi2

(2016) Jing Shuai et al.   Journal of Materials Chemistry A

Enhancement of thermoelectric performance of phase pure Zintl compounds Ca 1−x Yb x Zn 2 Sb 2 , Ca 1 −x Eu x Zn 2 Sb 2 , and Eu 1 −x Yb x Zn 2 Sb 2 by mechanical alloying and hot pressing

(2016) Jing Shuai et al.   Nano Energy

Revealing the optoelectronic and thermoelectric properties of the Zintl quaternary arsenides ACdGeAs2 (A=K, Rb)

(2015) Sikander Azam et al.   MATERIALS RESEARCH BULLETIN

Properties of single crystalline AZn2Sb2 (A = Ca,Eu,Yb)

(2012) Andrew F. May et al.   JOURNAL OF APPLIED PHYSICS

Challenges for Density Functional Theory

(2011) Aron J. Cohen et al.   CHEMICAL REVIEWS

On the Significance of the Thermoelectric Figure of Merit Z

(2010) David Nemir et al.   JOURNAL OF ELECTRONIC MATERIALS

Bulk nanostructured thermoelectric materials: current research and future prospects

(2009) A. J. Minnich et al.   Energy & Environmental Science

Ab-initiosimulations of materials using VASP: Density-functional theory and beyond

(2008) Jürgen Hafner   JOURNAL OF COMPUTATIONAL CHEMISTRY