Results 271 to 280 of about 1,610,034 (354)

Crystallized Domain Walls in HfO2 Enable Chessboard‐Type Ultra‐High‐Dense Ferroelectric Memory

Advanced Science, EarlyView.
In general, DWs in ferroelectrics stabilize within a widely spread transition region between two oppositely polarized domains, which severely limits the achievable memory density. Here, the reported DWs in HfO2 constitute perfect crystalline structures along arbitrary crystallographic directions, enabling the formation of the narrowest square‐shaped ...
Pawan Kumar, Hyun‐Jae Lee, Yungyeom Kim, Jihoon Choi, Jun Hee Lee   +4 more
wiley   +1 more source

Effect of Hydrostatic Pressure on the <i>g</i> Tensor and Hyperfine Coupling Constants of the Nitroxide Radical Characterized by <i>Ab Initio</i> Calculations. [PDF]

J Phys Chem Lett
Gurgenidze A, Krylov AI, Takahashi S.
europepmc   +1 more source

The Halogen-Bond Nature in Noble Gas-Dihalogen Complexes from Scattering Experiments and Ab Initio Calculations. [PDF]

Molecules, 2019
Nunzi F, Di Erasmo B, Tarantelli F, Cappelletti D, Pirani F.   +4 more
europepmc   +1 more source

Paper TS-X: Derivation of the FSC Baryon Coupling Ratio — Ab Initio Calculation of g·ρ_b/(2λv²) = Ω_b²/(Ω_M · N_sector)

Yoshitaka Katakura
openalex   +1 more source

Ab initio calculations of two-neutrino and neutrinoless double-$\boldsymbolβ$ decay of $^{48}$Ca and related Gamow-Teller strength distributions [PDF]

Zhen Li, Lotta Jokiniemi, A. Schwenk
openalex   +1 more source

Nanocluster‐Assisted OH Ligand Modification Optimizes Activity and Stability of Fe‐N‐C Catalysts

Advanced Science, EarlyView.
A nanocluster‐assisted ligand engineering stabilizes OH‐modified FeN4 active sites through strong electronic coupling between isolated Fe atoms and adjacent nanoclusters. This synergy optimizes oxygen‐intermediate adsorption, lowers ORR energy barriers, and breaks the conventional activity–stability trade‐off, enabling high ORR activity, exceptional ...
Xue Zhao, Junpeng Chen, Shice Wang, Zhao Yu, Jing Wang, Qiuming Peng, Ge Li   +6 more
wiley   +1 more source

Effects of Induced Stress on Seismic Waves: Validation Based on Ab Initio Calculations. [PDF]

J Geophys Res Solid Earth, 2019
Tromp J, Marcondes ML, Wentzcovitch RMM, Trampert J.   +3 more
europepmc   +1 more source

Distinct Cleavage Trajectories Mediated by DNA and RNA Substrate in Argonaute From Methanocaldococcus Fervens

Advanced Science, EarlyView.
This study characterizes MfAgo, an enzyme exhibiting highly efficient DNA‐guided DNA and RNA cleavage capability. Precise RNA cleavage strictly requires dimerization to stabilize the PIWI‐loop region, while its robust DNA cleavage functions in a dimerization‐independent manner.
Fuyong Huang, Taiyu Chen, Meng Fang, Qinmiao Duanmu, Kangle Mu, Yuqi Bi, Siwei Xu, Xin Tao, Jiening Wang, Shan Wu   +9 more
wiley   +1 more source

Ab Initio Calculations of Quantum Light-Matter Interactions in General Electromagnetic Environments. [PDF]

J Chem Theory Comput
Svendsen MK, Thygesen KS, Rubio A, Flick J.   +3 more
europepmc   +1 more source

Electronic properties of several two dimensional halides from ab initio calculations. [PDF]

Beilstein J Nanotechnol, 2019
Barhoumi M, Abboud A, Debbichi L, Said M, Björkman T, Rocca D, Lebègue S.   +6 more
europepmc   +1 more source