the National Natural Science Foundation of China(51303083);the National Natural Science Foundation of China for Excellent Young Scholars(51922050);the Natural Science Foundation of Jiangsu Province(BK20191293);the Fundamental Research Funds for the Central Universities(30920021123)。
Photothermal catalytic CO_(2) conversion provides an effective solution targeting carbon neutrality by synergistic utilization of photon and heat.However,the C-C coupling initiated by photothermal catalysis is still a...
supported by Grant-in-Aid for JSPS Fellows(no.20J11073)from the Japan Society for the Promotion of Science and by the Tsinghua-Tohoku Collaborative Research Fund from Tsinghua University and Tohoku University;supported by the Grant-in-Aid for Scientific Research(B)(nos.20H01841,22H02161)from the Japan Society for the Promotion of Science.
A half-metallic full-Heusler Mn_(2)VAl alloy is a potential p-type thermoelectric material that can directly generate electricity from waste heat via the Seebeck effect.For practical use,the Seebeck coefficient S of M...
supported by the Taishan Scholar Program of Shandong Province(No.ts20190939);National Natural Science Foundation of China(Grant No.62071200,12004137,11804116,52173283);the Natural Science Foundation of Shandong Province(Grant No.ZR2018MA035,ZR2020QA052,ZR2019MA041);Independent Cultivation Program of Innovat ion Team of Jinan City(Grant No.2021GXRC043)。
A two-dimensional(2D) high-temperature ferromagnetic half-metal whose magnetic and electronic properties can be flexibly tuned is required for the application of new spintronics devices. In this paper, we predict a st...
the National Key Research and Development Program of China(2017YFB0701600);the National Natural Science Foundation of China(11974197 and 51920105002);Guangdong Innovative and Entrepre-neurial Research Team Program(2017ZT07C341);China Postdoctoral Science Foundation(2018M631458);the Bureau of Industry and Information Technology of Shenzhen for the 2017 Graphene Manufacturing Innovation Center Project(201901171523)。
Despite extensive research on recently discovered layered ferromagnetic(FM)materials,their further development is hampered by the limited number of candidate materials with desired properties.As a much bigger family,l...
the National Natural Science Foundation of China(Grant Nos.11674136 and 11564022);Yunnan Province for Recruiting High-Caliber Technological Talents,China(Grant No.1097816002);Reserve Talents for Yunnan Young and Middle-aged Academic and Technical Leaders,China(Grant No.2017HB010);the Academic Qinglan Project of KUST(Grant No.1407840010);the Analysis and Testing Fund of KUST(Grant No.2017M20162230010);the High-level Talents of KUST(Grant No.1411909425)。
The fascinating Dirac cone in honeycomb graphene,which underlies many unique electronic properties,has inspired the vast endeavors on pursuing new two-dimensional(2D)Dirac materials.Based on the density functional the...
A.Laref was sponsored by the‘Research Center of Female Scientific and Medical Colleges’,Deanship of Scientific Research,King Saud University。
By employing the spin resolved density functional theory, half-metallic character is investigated in Cs2NpBr6 having a K2PtCl6-type structure. The results precisely predict the half-metallic behavior of Cs2NpBr6. In s...
Supported by the National Natural Science Foundation of China under Grant Nos.11704197 and 61574079;the NUPTSF under Grant No.NY217046。
A spintronic theory is developed to study the effect of lattice distortion on the magnetic tunnel junctions(MTJs)consisting of single-crystal barrier and half-metallic electrodes.In the theory,the lattice distortion i...
The electronic and optical characteristics of the Sc2 CoSi Heusler with L21 structure and also the surface effect on electronic and optical properties, and the ?lms thermodynamic stability of the [001] direction in fo...
Project supported by the National Natural Science Foundation of China(Grant Nos.11647133 and 11674113);the Natural Science Foundation of Hubei Province,China(Grant Nos.2017CFB740 and 2014CFB631);the Scientific Research Items Foundation of Hubei Educational Committee,China(Grant Nos.Q20141802,Q20161803,B2016091,and D20171803);Hubei Provincial Collaborative Innovation Center for Optoelectronics,China
The electronic structures, magnetic properties, half-metallicity, and mechanical properties of half-Heulser compounds CoCrZ (Z = S, Se, and Te) were investigated using first-principles calculations within generalize...
Project supported by the Science Director Foundation Project of the National Natural Science Foundation of China(Grant No.11347179)
A first-principles approach is employed to study the structural, electronic, and magnetic properties of RbCaX2 (X = C, N, and O) full-Heusler compounds. It is observed that RbCaN2 and RbCaO2 are new do half-metals w...