Results 1 to 10 of about 16,263,301 (302)

Superconducting TaH5 at high pressure

New Journal of Physics, 2019
Recently, the significant development, in the field of high-temperature superconductivity among the compressed elements hydrides (such as LaH _10 ), opens up a door in pursuing room-temperature superconductors.
Hefei Li, Xue Li, Hui Wang, Guangtao Liu, Yinwei Li, Hanyu Liu   +5 more
doaj   +1 more source

Pseudo-proper two-dimensional electron gas formation

New Journal of Physics
In spite of the interest in the two-dimensional electron gases (2DEGs) experimentally found at surfaces and interfaces, important uncertainties remain about the observed insulator–metal transitions (IMTs).
Daniel Bennett, Pablo Aguado-Puente, Emilio Artacho, Nicholas C Bristowe   +3 more
doaj   +1 more source

Preparation and First-principles Study of New Thorium-based MOX Fuel

Yuanzineng kexue jishu
The development of thorium-based nuclear fuel is of significance for the long-term sustainable development of nuclear power. Among these, Th1−xPuxO2 stands as a highly promising nuclear fuel with proven applications in various reactor types.
ZHAO Shi1, 2, , WEI Qianglin1, 2, 3, , LIU Yibao1, 2, LIU Haojie2, LI Kaixuan2
doaj   +1 more source

First-Principles Investigation of Phosphorus-Doped Graphitic Carbon Nitride as Anchoring Material for the Lithium-Sulfur Battery

Molecules
The utilization of lithium–sulfur battery is hindered by various challenges, including the “shuttle effect”, limited sulfur utilization, and the sluggish conversion kinetics of lithium polysulfides (LiPSs).
Yuehui Chen, Fengxia Liu, Shuang Wei, Yingkai Xia, Xiaodong Li, Shengnan Liu, Xu Zhang, Shuwei Tang, Ding Shen, Wei Dong, Shaobin Yang   +10 more
doaj   +1 more source

First Principles: And Epidemiology. [PDF]

Proceedings of the Royal Society of Medicine, 1920
openaire   +2 more sources

YNbC, novel Janus MXene: a first-principles study. [PDF]

RSC Adv
Mousavi H, Asshabi M.
europepmc   +1 more source

First-Principles Modeling of Charge Transfer Excitons in Organic Solar Cells. [PDF]

J Chem Theory Comput
Jindal V, Janik MJ, Milner ST.
europepmc   +1 more source

First-principles insights into double perovskite fluorides for energy harvesting applications. [PDF]

RSC Adv
Khan MS, Gul B, Alnuwaiser MA, Alghanmi RM, Tashkandi MA, Aziz SM.   +5 more
europepmc   +1 more source

Targeted physical therapy for gouty arthritis: a first-principles frequency-screening study. [PDF]

Front Physiol
Xia Y, Guan Y, Li P, Wang Y, Li Y, Xie M, Wang Z, Li K, Zhang P.   +8 more
europepmc   +1 more source

Histamine Adsorption on Pristine and Doped Graphene for Biosensing: A First-Principles Study. [PDF]

ACS Omega
Gou S, Luo X.
europepmc   +1 more source