First-principles investigation of the significant anisotropy and ultrahigh thermoelectric efficiency of a novel two-dimensional Ga_(2)I_(2)S_(2) at room temperature

Two-dimensional(2D)thermoelectric(TE)materials have been widely developed;however,some 2D materials exhibit isotropic phonon,electron transport properties,and poor TE performance,which limit their application scope.Thus,exploring excellent anisotropic and ultrahigh-performance TE materials are very warranted.Herein,we first investigate the phonon thermal and TE properties of a novel 2D-connectivity ternary compound named Ga2I2S2.This paper comprehensively studies the phonon dispersion,phonon anharmonicity,lattice thermal conductivity,electronic structure,carrier mobility,Seebeck coefficient,electrical conductivity,and the dimensionless figure of merit(ZT)versus carrier concentration for 2D Ga_(2)I_(2)S_(2).We conclude that the in-plane lattice thermal conductivities of Ga_(2)I_(2)S_(2) at room temperature(300 K)are found to be 1.55 W mK^(−1) in the X-axis direction(xx-direction)and 3.82 W mK^(−1)in the Y-axis direction(yy-direction),which means its anisotropy ratio reaches 1.46.Simultaneously,the TE performance of p-type and n-type doping 2D Ga2I2S2 also shows significant anisotropy,giving rise to the ZT peak values of p-type doping in xx-and yy-directions being 0.81 and 1.99,respectively,and those of n-type doping reach ultrahigh values of 7.12 and 2.89 at 300 K,which are obviously higher than the reported values for p-type and n-type doping ternary compound Sn2BiX(ZT∼1.70 and∼2.45 at 300 K)(2020 Nano Energy 67104283).This work demonstrates that 2D Ga_(2)I_(2)S_(2) has high anisotropic TE conversion efficiency and can also be used as a new potential room-temperature TE material.

HUNK inhibits cargo uptake and lysosomal traffic in the caveolar pathway via the AGAP3/ARF6

Endocytosis is a crucial cellular process that takes up cargos by enclosing them in membrane-bound vesicles,and transports cargos to different parts of the cell,such as the lysosomes[1].Endocytosis is classified into several mechanistically and morphologically pathways,including clathrin-mediated endocytosis(CME)and caveolae-mediated endocytosis(CavME)[1,2].

Machine learning accelerated calculation and design of electrocatalysts for CO_(2) reduction

In the past decades,machine learning(ML)has impacted the field of electrocatalysis.Modern researchers have begun to take advantage of ML‐based data‐driven techniques to overcome the computational and experimental limitations to accelerate rational catalyst design.Hence,significant efforts have been made to perform ML to accelerate calculation and aid electrocatalyst design for CO_(2) reduction.This review discusses recent applications of ML to discover,design,and optimize novel electrocatalysts.First,insights into ML aided in accelerating calculation are presented.Then,ML aided in the rational design of the electrocatalyst is introduced,including establishing a data set/data source selection and validation of descriptor selection of ML algorithms validation and predictions of the model.Finally,the opportunities and future challenges are summarized for the future design of electrocatalyst for CO_(2) reduction with the assistance of ML.