funding support from the National Natural Science Foundation of China;the Institute of WeiqiaoUCAS Science and Technology;the Fundamental Research Funds for the Central Universities。
The development of cation-disordered rocksalt(DRX)cathodes has garnered worldwide attention due to their high capacity,broad chemical space and excellent structural flexibility.However,their low intrinsic Li-ion condu...
supported by the National Key R&D Program of China(2021YFB2401800);the National Natural Science Foundation of China(22179008,21875022);the Natural Science Foundation of Chongqing,China(cstc2020jcyj-msxmX0589,cstc2020jcyjmsxmX0654);the support from Beijing Institute of Technology Research Fund Program for Young Scholars;the 4B7B beamlines radiation equipment of Beijing Synchrotron Radiation Facility(2021-BEPC-PT-005924,2021-BEPC-PT-005967)。
Cation-disordered rocksalt oxides(DRX)have been identified as promising cathode materials for high energy density applications owing to their variable elemental composition and cationic-anionic redox activity.However,...
supported by the National Natural Science Foundation of China(21872093);the National Key Research and Development Program of China(2018YFB1502001);funding support from the Center of Hydrogen Science,Shanghai Jiao Tong University,China。
The reconstruction during oxygen evolution reaction (OER) significantly affects the electronic and local geometry structure of metal sites in electrocatalyst.Compared with well-investigated cobalt-based materials,the ...
High‐entropy materials are emerging electrocatalysts by integrating five or more elements into one single crystallographic phase to optimize the electronic structures and geometric environments.Here,a rocksalt‐type ...
supported by National Natural Science Foundation of China (NSFC) under grant Nos. 61574059, 61722402, 61704097 and 91833302;Science Challenge Project (TZ2018004);National Key Research and Development Program of China (2016YFB0700700);ShuGuang program (15SG20);Fok Ying Tung Education Foundation (161060);CC of ECNU
NaSbS2 was recently proposed as a novel photovoltaic semiconductor with earth-abundant component elements, but its fundamental material properties have not been well studied. The systematical first-principles calculat...
supported financially by the National Natural Science Foundation of China(No.51271047)
To study the influence of the nitrogen vacancy (VN) on mechanical and electrical properties of zirconium nitride deeply, ZrNx films with different VN concentrations were synthesized on the Si (111) substrates by e...
The structural, electronic and optical properties of rocksalt CdO have been studied using the plane-wave-based pseudo-potential density functional theory within generalized gradient approximation. The calculated latti...
Project supported by Chongqing Natural Science Foundation,China (Grant Nos.CSCT2010BB4405 and CSTC2008BB4083);the Doctoral Foundation of Chongqing University of Posts and Telecommunications,China(Grant No.A2008-63)
Several rocksalt Sr4X3N (X = O, S, Se, and Te) are predicted to be potential half-metallic ferromagnets free of transition-metal and rare-earth elements by performing the first-principles calculations. Then their ma...
Project supported by the National Natural Science Foundation of China(NSFC) (Nos. 10772190,50979104 and 51009132)
A thermo-plastic/viscoplastic damage coupled model was formulated to describe the time independent and time dependent behaviors of geomaterials under temperature effect. The plastic strain was divided into instantaneo...
Project supported by the National Natural Science Foundation of China (Grant No. 10835006)
Based on the atomic superposition approximation (ATSUP) and first-principles pseudopotential plane-wave methods, the bulk and Mg mono-vacancy positron lifetime of magnesium oxide were calculated using Arponen-Pajamm...