Abstract:We developed and implemented an autonomous multi-target multi-fidelity workflow to explore the chemical space of antiperovskite materials with general formula X3AB (X = Li, Na, Mg), searching for stable high performance solid state electrolytes (SSEs) for all-solid state batteries. The workflow is based on the calculation of thermodynamic and kinetic properties, which include phase and electrochemical stability, semiconducting behavior, and ionic diffusivity. To accelerate the calculation of the kinetic proper… Show more
“…suggest that the newly developed sensing device holds vast potential for utilization in technological sectors, particularly in monitoring air quality within maritime applications. [5,7,10,13,14,[17][18][19][20][21][24][25][26][27][28][29][30]32,45,[69][70][71][72][73][74][75][76][77][78][79][80][81][82][83][84][85][86]…”
Here we report on the discovery of a novel fast potassium super stoichiometric silicate, with fully earth‐abundant nominal chemical composition of K2+xMg1−x/2SiO4, which exhibits near superionic K+ conductivity, up to 5 × 10−5 S cm−1 at room temperature. Fast K+ conduction is attributed to a high Continuous Symmetry Measure value in K‐polyhedrons, coupled with a low packing ratio of Corner‐Sharing‐framework. This is the first time that such a high conductivity is measured by a rock‐silicate formed only by abundant metal ions. K2+xMg1−x/2SiO4 displays excellent stability under air and humidity, which renders it a very promising candidate for economical fabrication of electrochemical devices such as potentiometric gas sensors. We demonstrated this by fabricating a gas sensor for SO2 detection, as the first demonstration of type III potentiometric gas sensors using K+ conductors. At 500 °C and SO2 concentrations in the range of 0–10 ppm, the sensor exhibited high sensitivities (69–72 mV dec−1), robust signal output (220 mV for 2 ppm of SO2), fast response times (1–6 min), and excellent stability in ambient condition.
“…suggest that the newly developed sensing device holds vast potential for utilization in technological sectors, particularly in monitoring air quality within maritime applications. [5,7,10,13,14,[17][18][19][20][21][24][25][26][27][28][29][30]32,45,[69][70][71][72][73][74][75][76][77][78][79][80][81][82][83][84][85][86]…”
Here we report on the discovery of a novel fast potassium super stoichiometric silicate, with fully earth‐abundant nominal chemical composition of K2+xMg1−x/2SiO4, which exhibits near superionic K+ conductivity, up to 5 × 10−5 S cm−1 at room temperature. Fast K+ conduction is attributed to a high Continuous Symmetry Measure value in K‐polyhedrons, coupled with a low packing ratio of Corner‐Sharing‐framework. This is the first time that such a high conductivity is measured by a rock‐silicate formed only by abundant metal ions. K2+xMg1−x/2SiO4 displays excellent stability under air and humidity, which renders it a very promising candidate for economical fabrication of electrochemical devices such as potentiometric gas sensors. We demonstrated this by fabricating a gas sensor for SO2 detection, as the first demonstration of type III potentiometric gas sensors using K+ conductors. At 500 °C and SO2 concentrations in the range of 0–10 ppm, the sensor exhibited high sensitivities (69–72 mV dec−1), robust signal output (220 mV for 2 ppm of SO2), fast response times (1–6 min), and excellent stability in ambient condition.
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