Insights into the design of thermoelectric Mg3Sb2 and its analogs by combining theory and experiment
J Zhang, L Song, BB Iversen - Npj Computational Materials, 2019 - nature.com
Over the past two decades, we have witnessed a strong interest in develo** Mg3Sb2 and
related CaAl2Si2-type materials for low-and intermediate-temperature thermoelectric …
related CaAl2Si2-type materials for low-and intermediate-temperature thermoelectric …
[HTML][HTML] High-performance Mg3Sb2-xBix thermoelectrics: progress and perspective
Since the first successful implementation of n-type do**, low-cost Mg 3 Sb 2-x Bi x alloys
have been rapidly developed as excellent thermoelectric materials in recent years. An …
have been rapidly developed as excellent thermoelectric materials in recent years. An …
LOBSTER: Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory
We present an update on recently developed methodology and functionality in the computer
program Local Orbital Basis Suite Toward Electronic‐Structure Reconstruction (LOBSTER) …
program Local Orbital Basis Suite Toward Electronic‐Structure Reconstruction (LOBSTER) …
Hydrogen‐Bond Regulation of the Microenvironment of Ni (II)‐Porphyrin Bifunctional Electrocatalysts for Efficient Overall Water Splitting
Y Zhang, S Chen, Y Zhang, R Li, B Zhao… - Advanced …, 2023 - Wiley Online Library
Accurately regulating the microenvironment around active sites is an important approach for
boosting the overall water splitting performance of bifunctional electrocatalysts, which can …
boosting the overall water splitting performance of bifunctional electrocatalysts, which can …
Synergistic Effect of Band and Nanostructure Engineering on the Boosted Thermoelectric Performance of n‐Type Mg3+δ(Sb, Bi)2 Zintls
Abstract Thermoelectric Mg3+ δ (Sb, Bi) 2 Zintls have attracted significant attention because
of their high‐performing, eco‐friendly, and cost‐effective features, but their thermoelectric …
of their high‐performing, eco‐friendly, and cost‐effective features, but their thermoelectric …
Soft anharmonic phonons and ultralow thermal conductivity in Mg3(Sb, Bi)2 thermoelectrics
The candidate thermoelectric compounds Mg3Sb2 and Mg3Bi2 show excellent performance
near ambient temperature, enabled by an anomalously low lattice thermal conductivity (κl) …
near ambient temperature, enabled by an anomalously low lattice thermal conductivity (κl) …
[HTML][HTML] Room-temperature thermoelectric materials: Challenges and a new paradigm
Z Han, JW Li, F Jiang, J **a, BP Zhang, JF Li… - Journal of Materiomics, 2022 - Elsevier
Room-temperature thermoelectric materials provide promising solutions for energy
harvesting from the environment, and deliver a maintenance-free power supply for the …
harvesting from the environment, and deliver a maintenance-free power supply for the …
Development of a robust tool to extract Mulliken and Löwdin charges from plane waves and its application to solid-state materials
Chemically understanding the electronic structure of a given material provides valuable
information about its chemical as well as physical nature and, hence, is the key to designing …
information about its chemical as well as physical nature and, hence, is the key to designing …
Rational Manipulation of Epitaxial Strains Enabled Valence Band Convergence and High Thermoelectric Performances in Mg3Sb2 Films
Strain engineering is demonstrated to effectively regulate the functionality of materials, such
as thermoelectric, ferroelectric, and photovoltaic properties. As the straightforward approach …
as thermoelectric, ferroelectric, and photovoltaic properties. As the straightforward approach …
Extraordinary thermoelectric performance, thermal stability and mechanical properties of n-type Mg3Sb1. 5Bi0. 5 through multi-dopants at interstitial site
Mg 3 Sb 2-based thermoelectric materials have attracted much interest since the discovery
of their excellent n-type thermoelectric performance with excess Mg content and proper …
of their excellent n-type thermoelectric performance with excess Mg content and proper …