Results 171 to 180 of about 1,180,755 (291)

Electrically Tunable Heliconical Smectic Superstructure in Polar Fluids

Advanced Materials, EarlyView.
Strong dipole–dipole interactions give rise to an emergent polar smectic phase with spontaneous chiral symmetry breaking. This resulting polar heliconical smectic superstructure enables novel functionalities in polar fluids, such as color modulation driven by electric field strength and frequency, as well as second‐harmonic generation amplification ...
Hiroya Nishikawa, Dennis Kwaria, Atsuko Nihonyanagi, Koki Sano, Hiroyuki Yoshida, Fumito Araoka   +5 more
wiley   +1 more source

Evaluation of the electronic, optical, thermoelectrical and magnetic properties of manganite perovskites <i>via</i> DFT calculations and critical exponent analysis. [PDF]

RSC Adv
Karoui L, Mabrouki AE, Mnasri T, Bajorek A, Smari M.   +4 more
europepmc   +1 more source

Angstrom‐Scale Confined Ion Sieve and Accelerator for Efficient Aqueous Zinc Batteries

Advanced Materials, EarlyView.
An angstrom‐scale confined ion accelerator strategy is proposed for ultra‐stable aqueous Zn anodes. Selective and precise transport of hydrated Zn(H2O)62+, Zn2+ cations, H2O molecules, and SO42− anions is achieved by in‐plane atomic Ti vacancies and angstrom‐scale interlayer free spacing within the Ti0.87O2 interfacial layer, leading to homogeneous Zn ...
Xing Peng, Caichao Ye, Yingqiang Li, Zhihang Liu, Kunxi Luan, Jinbo Fan, Honglan Huang, Chao Liu, Na Shen, Zhen Hou, Wenyao Zhang, Yongsheng Fu, Mingzhe Chen, Linfeng Hu, Pan Xiong, Guoxiu Wang, Junwu Zhu   +16 more
wiley   +1 more source

Mechanistic investigation of ammonium nitrogen adsorption on low-temperature pyrolysis cotton stalk biochar based on DFT calculations. [PDF]

Sci Rep
Li S, Li P, Jia L, Dong X, Chen C, Xu W, Xue Z, Zhou L.   +7 more
europepmc   +1 more source

Asymmetric Lamellar Templating of the Perovskite/C60 Interface for Scalable Inverted Perovskite Photovoltaics

Advanced Materials, EarlyView.
Asymmetric lamellar templating at the perovskite/C60 interface is achieved using a laterally polarized indole spacer. Surface anchoring and Ind–Ind assembly form a π‐rich lamellar interphase that supports uniform C60 contact formation, suppresses recombination, preserves electron extraction, and enables certified high‐efficiency cells and modules with ...
Taeyoon Ki, Jong‐Guk Ahn, Sangcho Kim, Sangjin Kim, Min‐Ho Lee, In‐Wook Hwang, Jinju Jeong, Soobin Shim, Jaeboong Ahn, Jun Hong Park, Seungjin Lee, Jung‐Yong Lee, Yousoo Kim, Ju‐Hyeon Kim, Hongkyu Kang, Sukwon Hong, Kwanghee Lee   +16 more
wiley   +1 more source

¹H-¹H Interatomic Distances in Paracetamol-Based Structures Unveiled by Double-Quantum NMR and DFT Calculations. [PDF]

Molecules
Balodis M, Stevensson B, Majhi D, Nguyen TM, Hareendran C, Edén M.   +5 more
europepmc   +1 more source

Above Room Temperature Ferroelectricity in Epitaxially Strained KTaO3

Advanced Materials, EarlyView.
Through precise epitaxial engineering, the cubic and paraelectric KTaO3${\rm KTaO}_3$ is transformed into a robust ferroelectric. By leveraging lattice‐mismatched substrates to apply controlled epitaxial strain, a stable ferroelectric ground‐state is achieved with a transition temperature as high as 475 K, establishing KTaO3${\rm KTaO}_3$ as a highly ...
Tobias Schwaigert, Salva Salmani‐Rezaie, Sankalpa Hazra, Utkarsh Saha, Maya Ramesh, Aiden Ross, Betül Pamuk, Long‐Qing Chen, David A. Muller, Darrell G. Schlom, Venkatraman Gopalan, Kaveh Ahadi   +11 more
wiley   +1 more source

DFT Calculations on Electronic, Thermochemical and Vibrational Properties of Se₆ Selenium Clusters as 5-Fluorouracil Drug Delivery System. [PDF]

BioTech (Basel)
Solano-González LI, Mendoza-Báez R, Agustín-Serrano R, Rodríguez-Mora JI, Morales MA.   +4 more
europepmc   +1 more source

Origin of Dark Current Robustness in Photomultiplication Organic Photodetectors Enabled by Ionic Conjugated Electron‐Blocking Layers

Advanced Materials, EarlyView.
Ionic conjugated polyelectrolyte electron‐blocking layers enable photomultiplication organic photodetectors with dark current robustness up to −10 V and external quantum efficiencies exceeding 3000%. Fowler–Nordheim tunneling, interfacial dipole, trap density of states, and noise analyses reveal how ionic conjugated polyelectrolytes suppress electron ...
Yelim Kang, Min Hun Jee, Shuai Zhang, Sang Heon Lee, Jung Min Ha, Xingchao Zhao, Xiaoling Ma, Huiseong Shin, Changhwan Shin, Soonyong Lee, Fujun Zhang, Jae Won Shim, Han Young Woo   +12 more
wiley   +1 more source

Exploring the Mechanism of Ammonium Dinitramide Synthesis through DFT Calculations. [PDF]

ACS Omega
Queiroz LMSV, Fernandes GFS, Silva JRC, Machado FBC, Ferrão LFA.   +4 more
europepmc   +1 more source