Compositing Effect Leads to Extraordinary Performance in GeSe‐Based Thermoelectrics
Advanced Functional Materials, EarlyView.Rhombohedral GeSe is rationally designed with (GeSe)0.9(AgBiTe2)0.1‐1.5 mol.% SnSe, achieving a peak ZT of 1.31 at 623 K. Forming a composite with SnSe establishes interfaces with strong phonon scattering and weak electron scattering. Multiscale defects lead to an ultra‐low lattice thermal conductivity (0.26 W m−1 K−1), approaching the amorphous limit.
Min Zhang +14 more
wiley +1 more source
NMR AND DFT STUDY ON THE PROTOTROPIC TAUTOMERISM OF 3-METHYL-5-PYRAZOLONE
, 2000 Joel B. Alderete +3 more
openalex +1 more source
The O-H Bond Dissociation Energies of Substituted Phenols and Proton Affinities of Substituted Phenoxide Ions: A DFT Study [PDF]
, 2002 Asit K. Chandra, Tadafumi Uchimaru
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Advanced Functional Materials, EarlyView.A spin group (SG)‐based mechanism is proposed to realize a single pair of Weyl points. PT‐symmetric nodal lines (NLs) persist under T‐breaking, protected by the combination of SG and P symmetry. When considering spin‐orbit coupling, the SG‐protected NL will split into Weyl points, which will also induce anomalous transport phenomena arising from ...
Shifeng Qian +6 more
wiley +1 more source
Post Hartree–Fock and DFT Studies on Pyrrole···Nitrogen and Pyrrole···Carbon Monoxide Molecules [PDF]
, 2002 R. Kanakaraju, P. Kolandaivel
openalex +1 more source
Engineering Strategies for 2D Layered Tin Halide Perovskite Field‐Effect Transistors
Advanced Functional Materials, EarlyView.2D halide perovskites are promising candidates for field‐effect transistor (FET) applications due to their high stability and suppressed ion migration in the presence of bulky organic spacers. This review systematically summarizes the optimization engineering strategies of 2D perovskite FETs and future challenges, which provide guidance for developing ...
Shuanglong Wang +4 more
wiley +1 more source
Comparison of DFT with <i>Ab initio</i> Method on the Study of Intermolecular Interaction of (CH<sub>3</sub>ONO<sub>2</sub>)<sub>2</sub> [PDF]
, 2002 Jin‐Zhi Tan +3 more
openalex +1 more source
Advanced Functional Materials, EarlyView.The dynamic polarization reversal of coexisting normal and relaxor ferroelectrics in 1D TMAPbI₃ (tetramethylammonium, TMA) is deciphered through combined experimental and theoretical approaches. By bridging atomic‐scale motion, macroscopic polarization switching, and depolarization effects, a universal methodology is established to engineer next ...
Chen Xue +8 more
wiley +1 more source
Revealing electronic correlations in YNi<sub>2</sub>B<sub>2</sub>C using photoemission spectroscopy. [PDF]
Commun PhysPulkkinen A +5 more
europepmc +1 more source
DFT Study of the Pentene Radical Cations: Molecular and Hyperfine Structures [PDF]
, 2002 Yanying Zhao +4 more
openalex +1 more source