Zobrazeno 1 - 10
of 57
pro vyhledávání: '"Linggang Zhu"'
Publikováno v:
Materials & Design, Vol 186, Iss , Pp - (2020)
Using atomistic simulations, we present a systematic investigation of the shear mechanisms of three {111} bimetal interfaces, focusing on the influence of the dislocation spacing and bonding scheme across the interface. The evolution of interface sli
Externí odkaz:
https://doaj.org/article/f65068ae72974d2da953e45864836054
Publikováno v:
Materials Research Letters, Vol 6, Iss 3, Pp 165-170 (2018)
Density functional theory with Hubbard U correction is employed to study the polaron in rutile under external electric fields. It is found that electric-field-induced displacements of the ions enhance the sampling of the polaron configurations, which
Externí odkaz:
https://doaj.org/article/e184bfc42a6a40baaf7adb20a94d4708
Publikováno v:
The Journal of Physical Chemistry C. 126:18560-18570
Publikováno v:
The Journal of Physical Chemistry Letters. 13:3965-3977
Machine learning (ML) is believed to have enabled a paradigm shift in materials research, and in practice, ML has demonstrated its power in speeding up the cost-efficient discovery of new materials and autonomizing materials laboratories. In this Per
Publikováno v:
Journal of Materials Chemistry C. 10:3971-3979
The concentration-sensitive nitrogen-doping effects on both the stability and electrical resistivity of GST124 are understood through various configurations of N dopants.
Publikováno v:
Journal of Alloys and Compounds. 925:166712
Publikováno v:
Cancer Management and Research. 12:11833-11844
Background Radiotherapy and chemotherapy are the main clinical treatments for biliary tract cancers (BTCs). Patients with advanced disease have a very poor prognosis, yet no molecular targets have been proven effective for the adjuvant therapy of BTC
Publikováno v:
Nanoscale Horizons. 5:1566-1573
Ultrathin semiconductors with great electrical and photovoltaic performance hold tremendous promise for fundamental research and applications in next-generation electronic devices. Here, we report new 2D direct-bandgap semiconductors, namely mono- an
Publikováno v:
Applied Surface Science. 489:608-613
Adding the two-dimensional (2D) material into the metal/oxide interface is a novel method to tune the property of the interface and the interface-controlled device. Compared to the widely studied influence of the interfacial 2D-material on the kineti
Energetics and kinetics of hydrogen at the grain boundary of the Ni alloys: A first-principles study
Publikováno v:
Journal of Alloys and Compounds. 795:343-350
Materials design at atomic scale to manipulate the behavior of hydrogen is one of the key strategies to improve the hydrogen-embrittlement (HE) resistance of the materials. In the present work, tuning the energetic and kinetics of hydrogen at the Ʃ5