相关论文: Automated Discovery of Wurtzite Solid Solutions wi…
The next generation of advanced materials is tending toward increasingly complex compositions. Synthesizing precise composition is time-consuming and becomes exponentially demanding with increasing compositional complexity. An experienced…
Rational design of interface passivators for perovskite solar cells is hindered by the entanglement of intrinsic molecular efficacy with extrinsic platform-dependent performance - a confounding factor that obscures true chemical advances.…
Artificial Intelligence (AI) in materials science is driving significant advancements in the discovery of advanced materials for energy applications. The recent GNoME protocol identifies over 380,000 novel stable crystals. From this, we…
Recent experiments demonstrated robust ferroelectricity in Mg-doped ZnO (ZMO) of the wurtzite structure, hinting at a promising strategy to substantially expand the list of ferroelectrics by doping conventional piezoelectrics. We…
Metal halide perovskites (MHPs) have attracted significant attention owing to their simple manufacturing process and unique optoelectronic properties. Their reversible electrical or optical properties changes in response to oxidizing or…
Doping mobile carriers into ordinary semiconductors such as Si, GaAs, and ZnO was the enabling step in the electronic and optoelectronic revolutions. The recent emergence of a class of "Quantum Materials", where uniquely quantum…
Most machine learning models for materials science rely on descriptors based on materials compositions and structures, even though the chemical bond has been proven to be a valuable concept for predicting materials properties. Over the…
The discovery of high-performance electrocatalysts is crucial for advancing sustainable energy technologies. Compositionally complex solid solutions comprising multiple metals offer promising catalytic properties, yet their exploration is…
The discovery and design of new materials which can efficiently catalyze the oxygen reduction and evolution reactions at reduced temperatures is important for facilitating the widespread adoption of fuel cell and electrolyzer technologies.…
Piezoresistivity is the most commonly used sensing principle in cement-based smart composites for strain-monitoring applications. Nonetheless, the need for external electric power to conduct electrical resistivity measurements restricts the…
While doping is widely used for tuning physical properties of perovskites in experiments, it remains a challenge to exactly know how doping achieves the desired effects. Here, we propose an empirical and computationally tractable model to…
Even though thermodynamic energy-based crystal structure prediction (CSP) has revolutionized materials discovery, the energy-driven CSP approaches often struggle to identify experimentally realizable metastable materials synthesized through…
Additive-free electroformed copper has emerged as the material of choice in exceptionally radiopure detectors for rare-event searches, based on its radiopurity, physical properties, and affordability. However, copper is ductile and of…
We report a combined theoretical and experimental search for thermoelectric materials based on semiconducting zinc antimony. Influence of three new doping elements (sodium, potassium and boron) on the electronic properties is investigated…
Graphene has been widely studied for various applications due to its outstanding electrical and mechanical properties. However, its potential in thermoelectric applications has been limited by a low Seebeck coefficient and high thermal…
The development of new high dielectric materials is essential for advancement in modern electronics. Oxides are generally regarded as the most promising class of high dielectric materials for industrial applications as they possess both…
Barium titanate-based perovskites are important candidates for lead-free dielectric and electromechanical technologies. In Zr-substituted BaTiO$_3$ (BZT), functional behavior is usually discussed in terms of the average Zr concentration,…
Piezoelectric materials are widely used in several industries, including power sources, energy harvesting, biomedical, electronics, haptic, photostrictive, and sensor/actuator technologies. Conventional piezoelectric materials, such lead…
We report a more than 10-fold enhancement of the piezoelectric coefficient $d_{33}$ of polycrystalline CH$_3$NH$_3$PbI$_3$ (MAPbI$_3$) films when interfacing them with ferroelectric PbZr$_{0.2}$Ti$_{0.8}$O$_3$ (PZT). Piezo-response force…
In the development of active animate materials, electromechanical coupling is highly attractive to realize mechanoresponsive functionality. Piezoelectricity is the most utilized electromechanical phenomenon due to the wide availability of…