Results 191 to 200 of about 1,053,365 (324)

High‐κ Perovskite‐Like Ternary Niobium Oxide Dielectrics for 2D Electronics

Advanced Materials, EarlyView.
High‐κ dielectrics are vital for scaled electronics. Here, a family of 2D high‐κ perovskite‐like ternary niobium oxides is synthesized via a molten salt‐assisted method. Their integration into FETs and logic gates reveals superior switching characteristics, providing a fresh material platform and new insights for the advancement of high‐performance 2D ...
Biao Zhang, Jianmiao Guo, Jianmin Yan, Jialiang Wang, Chao Yun, Guang Zeng, Jie Li, Cong Wang, Zhengdao Xie, Yanglong Hou, Yang Chai   +10 more
wiley   +1 more source

Ab-initio heat transport in defect-laden quasi-1D systems from a symmetry-adapted perspective. [PDF]

NPJ Comput Mater
Cen YJ, Wieser S, Madsen GKH, Carrete J.
europepmc   +1 more source

Superionic Amorphous Li2ZrCl6 and Li2HfCl6

Advanced Materials, EarlyView.
Amorphous Li2HfCl6 and L2ZrCl6 are shown to be promising solid‐state electrolytes with predicted ionic conductivities >20 mS·cm−1. Molecular dynamics simulations with machine‐learning force fields reveal that anion vibrations and flexible MCl6 octahedra soften the Li coordination cage and enhance mobility. Correlation between Li‐ion diffusivity and the
Shukai Yao, De‐en Jiang
wiley   +1 more source

Ab initio detection of multiple epitranscriptomic modifications from Oxford nanopore technology direct RNA sequencing data. [PDF]

Brief Bioinform
Fonzino A, Fosso B, Visci G, Gissi C, Pesole G, Picardi E.   +5 more
europepmc   +1 more source

On‐Surface Synthesis of Bismuth Monolayers through Ice‐Confined Redox Reactions

Advanced Materials, EarlyView.
We report an ice‐confined growth strategy for the synthesis of atomically thin 2D bismuth and related 2D metals. This approach involves rapid freezing of a BiCl3 aqueous solution on an aluminum foil using liquid nitrogen, which triggers interfacial redox reactions between the ice and the aluminum surface.
Zexiang He, Depeng Wang, Wentao Fan, Songlin Liu, Antonio Gaetano Ricciardulli, Haixia Zhong, Yiyong Mai, Paolo Samorì, Sheng Yang   +8 more
wiley   +1 more source

Quantum Calculation of the Collision-Induced Line-Shape Effects in Antiprotonic Helium and the New Accurate Ab Initio p¯He+-He Potential Energy Surface. [PDF]

J Chem Theory Comput
Jóźwiak HJ, Bakalov D, Przybytek M, Stoilov M, Wcisło P.   +4 more
europepmc   +1 more source

Designing Defect Structure and Interfacial Strain in an Epitaxial VN Bilayer Film by Tailoring N Concentration

Advanced Materials Interfaces, EarlyView.
The N concentration in an epitaxial VN bilayer is tailored from overstoichiometric V0.49N0.51 to understoichiometric V0.56N0.44. Based on ab initio, diffraction, and microscopy data, the overstoichiometric V0.49N0.51 layer contains V vacancies, N Frenkel pairs, and a high density of dislocations.
Marcus Hans, Damian M. Holzapfel, Zhuo Chen, Soheil Karimi Aghda, Michal Fečík, Daniel Primetzhofer, Zaoli Zhang, Jochen M. Schneider   +7 more
wiley   +1 more source

Raman Spectra and Thermal Conductivity of TiAlB, VAlB, CrAlB: An Ab Initio Study. [PDF]

ACS Omega
Wang S, Chen L, Song J.
europepmc   +1 more source

Investigating the Structural Factors Influencing the Magnetic Interaction between Individual Copper Spins in the CuCu4 Metallacrown Complex, from Its Bulk Form to Its Adsorption on Au(111)

Advanced Materials Interfaces, EarlyView.
The Cu(II)[12‐MCCu(II)N(Shi)‐4] metallacrown complex (CuCu4) is studied to examine how geometric transformations affect magnetic coupling between copper spins by using ultraviolet photoemission spectroscopy and DFT calculations for the bulk phase and CuCu4 adsorbed on Au(111). While adsorption minimally affects tDOS, exchange coupling constants between
Ariyan Tavakoli, Stefan Lach, Frederik Pütz, Dominic Stephan, Anne Lüpke, Dominik Laible, Siegfried Kaidisch, Andreas Windischbacher, Eva Rentschler, Peter Puschnig, Hans‐Christian Schneider, Christiane Ziegler   +11 more
wiley   +1 more source

Atomic and Electronic Properties of Doped CsPbBr₃ Perovskite: An Ab Initio Study. [PDF]

ACS Omega
Loh SM, Blundell SA.
europepmc   +1 more source