Understanding Diastereofacial Selection in Carbohydrate-Based Domino Cycloadditions: Semiempirical and DFT Calculations [PDF]
, 2000 Martı́n Ávalos +6 more
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Advanced Functional Materials, EarlyView.This study demonstrates the use of a low‐cost 3D printing technique to prepare a large‐area PVDF‐FAPbI3 composite dielectric film for flexible TENG application. The δ→α phase transformation of the FAPbI3 nanofillers has significantly improved the β‐phase content, morphology, and dielectric properties of the PVDF film.
Nurfatin Hafizah Zain Karimy +7 more
wiley +1 more source
Charge density analysis in semiconducting charge transfer complexes: a comparison between experiment and DFT calculations [PDF]
, 2000 Claudine Katan +5 more
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Temperature‐Resilient Polymeric Memristors for Effective Deblurring in Static and Dynamic Imaging
Advanced Functional Materials, EarlyView.A thermally stable organic memristor based on a thiadiazolobenzotriazole (TBZ) and 2,5‐Dioctyl‐3,6‐di(thiophen‐2‐yl)pyrrolo[3,4‐c]pyrrole‐1,4(2H,5H)‐dione (DPP)‐based conjugated polymer is presented, demonstrating reliable, gradual resistance switching across a wide temperature range (153–573 K).
Ziyu Lv +15 more
wiley +1 more source
Estudio DFT del efecto en la energía superficial de sobrecapas metálicas en semiconductores
, 1969 Jéssica Cuesta +2 more
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Diffusion, Excitons and Adsorptivity of H and He atoms on KBr (001) M-center Surface: DFT calculations [PDF]
, 2000 Kh.M. Eid
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Advanced Functional Materials, EarlyView.This work presents π–conjugated polymers based on dihydropyrazine (DHP) and ethylenedioxythiophene (EDOT), developed to produce highly conductive, flexible films for printed electronics. By optimizing the DHP and EDOT ratio, strong and compact π–π stacking is achieved, resulting in polymer films with conductivities up to 1700 S cm−1 under ambient ...
Sung Jae Jeon +3 more
wiley +1 more source
DFT calculations on KTiOPO4(KTP) used in nonlinear optics [PDF]
, 2000 Karlheinz Schwarz +5 more
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Switching of Magnetic Order via Non‐Magnetic Al Addition in FeCoNiMnAlx Films
Advanced Functional Materials, EarlyView.Non‐magnetic Al addition provides a sensitive handle to switch the magnetic order in high entropy FeCoNiMnAlx thin films via fcc to bcc phase transformation. Films with fcc structure exhibit a large exchange bias, while bcc films exhibit enhanced ferromagnetic properties, reflecting the magnetic ground state of Mn which switches from antiferromagnetic ...
Willie B. Beeson +6 more
wiley +1 more source
GIAO‐HF/DFT calculation of 13C and 15N chemical shifts for studying tautomerism and intramolecular hydrogen bonding in 2,3‐disubstituted quinoxalines [PDF]
, 2000 E. Kleinpeter, L. Hilfert, A. Koch
openalex +1 more source