keyword
https://read.qxmd.com/read/38477104/tailoring-the-buried-interface-by-dipolar-halogen-substituted-arylamine-for-efficient-and-stable-perovskite-solar-cells
#21
JOURNAL ARTICLE
Yan Wang, Qin Cao, Xuwu Xiang, Jiangsheng Yu, Jie Zhou
Improving the quality of the buried interface is decisive for achieving stable and high-efficiency perovskite solar cells. Herein, we report the interface engineering by using dipolar 2,4-difluoro-3,5-dichloroaniline (DDE) as the adhesive between titanium dioxide (TiO2 ) and MAPbI3 . By manipulation of the anchoring groups of DDE, this molecule not only passivated defects of TiO2 but also optimized the energy level alignment. Furthermore, the perovskite film on the modified TiO2 surface showed improved crystallinity, released residual stress, and reduced trap states...
March 13, 2024: ACS Applied Materials & Interfaces
https://read.qxmd.com/read/38469688/cell-sorting-by-active-forces-in-a-phase-field-model-of-cell-monolayers
#22
JOURNAL ARTICLE
James N Graham, Guanming Zhang, Julia M Yeomans
Cell sorting, the segregation of cells with different properties into distinct domains, is a key phenomenon in biological processes such as embryogenesis. We use a phase-field model of a confluent cell layer to study the role of activity in cell sorting. We find that a mixture of cells with extensile or contractile dipolar activity, and which are identical apart from their activity, quickly sort into small, elongated patches which then grow slowly in time. We interpret the sorting as driven by the different diffusivity of the extensile and contractile cells, mirroring the ordering of Brownian particles connected to different hot and cold thermostats...
March 12, 2024: Soft Matter
https://read.qxmd.com/read/38465677/quantum-criticality-in-chains-of-planar-rotors-with-dipolar-interactions
#23
JOURNAL ARTICLE
Tobias Serwatka, Pierre-Nicholas Roy
In this work, we perform a density matrix renormalization group study of chains of planar rotors interacting via dipolar interactions. By exploring the ground state from weakly to strongly interacting rotors, we find the occurrence of a quantum phase transition between a disordered and a dipole-ordered quantum state. We show that the nature of the ordered state changes from ferroelectric to antiferroelectric when the relative orientation of the rotor planes varies and that this change requires no modification of the overall symmetry...
March 14, 2024: Journal of Chemical Physics
https://read.qxmd.com/read/38457834/chirality-selective-topological-magnon-phase-transition-induced-by-interplay-of-anisotropic-exchange-interactions-in-honeycomb-ferromagnet
#24
JOURNAL ARTICLE
Jin-Yu Ni, Xia-Ming Zheng, Peng-Tao Wei, Da-Yong Liu, Liang-Jian Zou
A variety of distinct anisotropic exchange interactions commonly exist in one magnetic material due to complex crystal, magnetic and orbital symmetries. Here we investigate the effects of multiple anisotropic exchange interactions on topological magnon in a honeycomb ferromagnet, and find a chirality-selective topological magnon phase transition induced by a complicated interplay of Dzyaloshinsky-Moriya interaction (DMI) and pseudo-dipolar interaction (PDI), accompanied by the bulk gap close and reopen with chiral inversion...
March 8, 2024: Journal of Physics. Condensed Matter: An Institute of Physics Journal
https://read.qxmd.com/read/38456803/dipolar-coupling-as-a-mechanism-for-fine-control-of-magnetic-states-in-ercot-alkyl-molecular-magnets
#25
JOURNAL ARTICLE
Maximilian G Bernbeck, Angelica P Orlova, Jeremy D Hilgar, Milan Gembicky, Mykhaylo Ozerov, Jeffrey D Rinehart
The design of molecular magnets has progressed greatly by taking advantage of the ability to impart successive perturbations and control vibronic transitions in 4f n systems through the careful manipulation of the crystal field. Herein, we control the orientation and rigidity of two dinuclear ErCOT-based molecular magnets: the inversion-symmetric bridged [ErCOT(μ-Me)(THF)]2 ( 2 ) and the nearly linear Li[(ErCOT)2 (μ-Me)3 ] ( 3 ). The conserved anisotropy of the ErCOT synthetic unit facilitates the direction of the arrangement of its magnetic anisotropy for the purposes of generating controlled internal magnetic fields, improving control of the energetics and transition probabilities of the electronic angular momentum states with exchange biasing via dipolar coupling...
March 8, 2024: Journal of the American Chemical Society
https://read.qxmd.com/read/38454075/towards-a-comprehensive-characterization-of-spatio-temporal-dependence-of-light-induced-electromagnetic-forces-in-dielectric-liquids
#26
JOURNAL ARTICLE
N G C Astrath, E V Bergmann, B Anghinoni, G A S Flizikowski, A Novatski, C Jacinto, T Požar, M Kalin, L C Malacarne, M L Baesso
The interaction of localized light with matter generates optical electrostriction within dielectric fluids, leading to a discernible change in the refractive index of the medium according to the excitation's light profile. This optical force holds critical significance in optical manipulation and plays a fundamental role in numerous photonic applications. In this study, we demonstrate the applicability of the pump-probe, photo-induced lensing (PIL) method to investigate optical electrostriction in various dielectric liquids...
March 7, 2024: Scientific Reports
https://read.qxmd.com/read/38446050/impact-of-dipole-effect-on-perovskite-solar-cells
#27
REVIEW
Kaiwen Dong, Guangyue Yang, Minhuan Wang, Jiming Bian, Lina Zhu, Fengshan Zhang, Shitao Yu, Shiwei Liu, Juan-Ding Xiao, Xin Guo, Xiaoqing Jiang
Interface modification and bulk doping are two major strategies to improve the photovoltaic performance of perovskite solar cells (PSCs). Dipolar molecules are highly favored due to their unique dipolarity. This review discusses the basic concepts and characteristics of dipoles. In addition, the role of dipoles in PSCs and the corresponding conventional characterization methods for dipoles are introduced. Then, we systematically summarize the latest progress in achieving efficient and stable PSCs in dipole materials at several key interfaces...
March 6, 2024: ChemSusChem
https://read.qxmd.com/read/38439364/bright-solitons-in-a-spin-orbit-coupled-dipolar-bose-einstein-condensate-trapped-within-a-double-lattice
#28
JOURNAL ARTICLE
Qi Wang, Jieli Qin, Junjie Zhao, Lu Qin, Yingying Zhang, Xuejing Feng, Lu Zhou, Chunjie Yang, Yanfen Zhou, Zunlue Zhu, Wuming Liu, Xingdong Zhao
By effectively controlling the dipole-dipole interaction, we investigate the characteristics of the ground state of bright solitons in a spin-orbit coupled dipolar Bose-Einstein condensate. The dipolar atoms are trapped within a double-lattice which consists of a linear and a nonlinear lattice. We derive the motion equations of the different spin components, taking the controlling mechanisms of the dipole-dipole interaction into account. An analytical expression of dipole-dipole interaction is derived. By adjusting the dipole polarization angle, the dipole interaction can be adjusted from attraction to repulsion...
February 12, 2024: Optics Express
https://read.qxmd.com/read/38437015/disentangling-the-molecular-polarizability-and-first-hyperpolarizability-of-methanol-air-interfaces
#29
JOURNAL ARTICLE
Tárcius N Ramos, Benoît Champagne
Liquid-air interfaces have extensive implications in different areas of interest because the dynamical processes at the interface can be different from those in bulk. Thus, its characterization, understanding, and control may be pivotal in advancing discoveries. However, characterizing the interface requires special and selective tools to avoid signals from the bulk region. This surface specificity and versatility is achieved by using the second harmonic generation (SHG) responses. This study adopts multiscale simulation methods to evaluate the surface SHG responses of methanol-air interfaces with submonolayer resolution tackled by sequentially using classical molecular dynamics simulations under different temperatures and then employing quantum chemistry methods to compute the molecular first hyperpolarizabilities ( β )...
March 4, 2024: Physical Chemistry Chemical Physics: PCCP
https://read.qxmd.com/read/38436532/dipolar-chemical-bridge-induced-cspbi3-perovskite-solar-cells-with-21-86-efficiency
#30
JOURNAL ARTICLE
Junming Qiu, Xinyi Mei, Mingxu Zhang, Guoliang Wang, Shengwen Zou, Long Wen, Jianmei Huang, Yong Hua, Xiaoliang Zhang
CsPbI3 perovskite receives tremendous attention for photovoltaic applications due to its ideal bandgap and good thermal stability. However, CsPbI3 perovskite solar cells (PSCs) significantly suffer from photovoltage deficits because of serious interfacial energy losses within the PSCs, which to a large extent affects the photovoltaic performance of PSCs. Herein, a dipolar chemical bridge (DCB) is constructed between the perovskite and TiO2 layers to lower interfacial energy losses and thus improve the charge extraction of PSCs...
March 4, 2024: Angewandte Chemie
https://read.qxmd.com/read/38436053/organic-cations-promote-exciton-dissociation-in-ruddlesden-popper-lead-iodide-perovskites-a-theoretical-study
#31
JOURNAL ARTICLE
Xiaohua Tan, Qingjie Feng, Guangjun Nan
Two-dimensional (2D) Ruddlesden-Popper perovskites (RPPs) are a class of quantum well (QW) materials showing large exciton binding energy owing to quantum confinement. The existence of localized edge states was proposed to accelerate exciton dissociation into long-lived charge carriers in 2D RPPs, but recent experimental reports suggested that highly efficient internal exciton dissociation is achievable in 2D RPPs despite the absence of edge states. Herein, we adopt first-principles calculations to unveil the physical origin of the high internal quantum efficiency in the bulk region of widely familiar (BA)2 (MA) n -1 Pb n I3 n +1 (BA = butylammonium; MA = methylammonium) materials...
March 4, 2024: Materials Horizons
https://read.qxmd.com/read/38428028/temperature-dependent-kinetics-of-the-reactions-of-the-criegee-intermediate-ch-2-oo-with-hydroxyketones
#32
JOURNAL ARTICLE
Zachary A Cornwell, Jonas J Enders, Aaron W Harrison, Craig Murray
Though there is a growing body of literature on the kinetics of CIs with simple carbonyls, CI reactions with functionalized carbonyls such as hydroxyketones remain unexplored. In this work, the temperature-dependent kinetics of the reactions of CH2 OO with two hydroxyketones, hydroxyacetone (AcOH) and 4-hydroxy-2-butanone (4H2B), have been studied using a laser flash photolysis transient absorption spectroscopy technique and complementary quantum chemistry calculations. Bimolecular rate constants were determined from CH2 OO loss rates observed under pseudo-first-order conditions across the temperature range 275-335 K...
March 1, 2024: Journal of Physical Chemistry. A
https://read.qxmd.com/read/38426985/surface-recoil-force-on-dielectric-nanoparticle-enhancement-via-graphene-acoustic-surface-plasmon-excitation-non-local-effect-consideration
#33
JOURNAL ARTICLE
Julieta Olivo, Hernan Ferrari, Mauro Cuevas
Controlling optomechanical interactions at sub-wavelength levels is of great importance in academic science and nanoparticle manipulation technologies. This Letter focuses on the improvement of the recoil force on nanoparticles placed close to a graphene-dielectric-metal structure. The momentum conservation involving the non-symmetric excitation of acoustic surface plasmons (ASPs), via near-field circularly polarized dipolar scattering, implies the occurrence of a huge momentum kick on the nanoparticle. Owing to the high wave vector values entailed in the near-field scattering process, it has been necessary to consider the non-locality of the graphene electrical conductivity to explore the influence of the scattering loss on this large wave vector region, which is neglected by the semiclassical model...
March 1, 2024: Optics Letters
https://read.qxmd.com/read/38426553/exploration-of-the-impact-of-graphene-oxide-acetylenic-gemini-and-ctat-on-the-photophysical-and-aggregation-properties-of-dipolar-coumarin-153
#34
JOURNAL ARTICLE
Raju Sardar, Sourav Das, Rajesh Banik, Sayani Bhunia, Soumen Ghosh
Advanced spectroscopic techniques have been utilized to study the interaction between the laser dye coumarin 153 (C153) and graphene oxide (GO) nanoparticles. GO was synthesized using a modified Hummers' method and characterized by UV-vis spectroscopy, Raman laser spectroscopy, FTIR-ATR spectroscopy, FESEM, HR-TEM, and XRD techniques. The GO@C153 composite was formed by mixing two aqueous solutions of GO and C153 due to their strong interaction through stacking and hydrophobic interactions. In this case, GO acts as an effective fluorescence quencher for C153 molecules, which undergo H-type aggregation in the presence of GO...
March 1, 2024: Physical Chemistry Chemical Physics: PCCP
https://read.qxmd.com/read/38425936/aqueous-micelles-as-solvent-ligand-and-reaction-promoter-in-catalysis
#35
REVIEW
Jagdeep K Virdi, Ashish Dusunge, Sachin Handa
Water is considered to be the most sustainable and safest solvent. Micellar catalysis is a significant contributor to the chemistry in water. It promotes pathways involving water-sensitive intermediates and transient catalytic species under micelles' shielding effect while also replacing costly ligands and dipolar-aprotic solvents. However, there is a lack of critical information about micellar catalysis. This includes why it works better than traditional catalysis in organic solvents, why specific rules in micellar catalysis differ from those of conventional catalysis, and how the limitations of micellar catalysis can be addressed in the future...
February 26, 2024: JACS Au
https://read.qxmd.com/read/38422937/investigation-of-solute-solvent-interactions-of-4-alkyl-4-cyanobiphenyl-liquid-crystals-using-raman-spectroscopy
#36
JOURNAL ARTICLE
Musa S Dangombe, Sulayman A Oladepo
Liquid crystal materials possess hybrid liquid and solid-like properties with high response to stimuli. The 4'-alkyl-4-cyanobiphenyls (nCB) are an important class of liquid crystals that are widely used for various applications. In this study, six alkylcyanobiphenyl liquid crystal samples (5CB to 10CB) were examined using Raman spectroscopy in a total of twelve solvents of various polarities. The distinctive bands contributed by the LC sample are from C≡N stretch, C-C aromatic ring breathing, C-C biphenyl linking stretch, and C-H in-plane deformation...
February 23, 2024: Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
https://read.qxmd.com/read/38421069/effect-of-counterion-size-on-polyelectrolyte-conformations-and-thermodynamics
#37
JOURNAL ARTICLE
Souradeep Ghosh, Arindam Kundagrami
We present a theoretical model to study the effect of counterion size on the effective charge, size, and thermodynamic behavior of a single, isolated, and flexible polyelectrolyte (PE) chain. We analyze how altering counterion size modifies the energy and entropy contributions to the system, including the ion-pair free energy, excluded volume interactions, entropy of free and condensed ions, and dipolar attraction among monomer-counterion pairs, which result in competing effects challenging intuitive predictions...
February 28, 2024: Journal of Chemical Physics
https://read.qxmd.com/read/38418460/synthesis-of-cu-3-fe-4-v-6-o-24-nanoparticles-to-produce-1-2-3-triazoles-by-azide-alkyne-cycloaddition-reactions
#38
JOURNAL ARTICLE
Mahdi Ashrafi, Mojtaba Amini, Farzad Seidi
This paper presents the fabrication of novel Cu3 Fe4 V6 O24 nanoparticles (NPs) via a facile sol-gel method as efficient nanocatalysts (NCs) to produce azide-alkyne 1,3-dipolar cycloaddition compounds. The effect of the calcination time on the formation of NPs was investigated. The as-prepared NPs were characterized using X-ray diffraction (XRD), Fourier transform infrared (FTIR), scanning electron microscopy (SEM), electron-dispersive X-ray spectroscopy (EDX), transmission electron microscopy (TEM), vibrating sample magnetometer (VSM), and Brunauer-Emmett-Teller (BET) analyses...
February 28, 2024: Langmuir: the ACS Journal of Surfaces and Colloids
https://read.qxmd.com/read/38417154/selective-detection-of-intermediate-amplitude-motion-by-solid-state-nmr
#39
JOURNAL ARTICLE
Pu Duan, Mei Hong
The coexistence of rigid and mobile molecules or molecular segments abounds in biomolecular assemblies. Examples include the carbohydrate-rich cell walls of plants and intrinsically disordered proteins that contain rigid β-sheet cores. In solid-state nuclear magnetic resonance (NMR) spectroscopy, dipolar polarization transfer experiments are well suited for detecting rigid components, whereas scalar-coupling experiments are well suited for detecting highly mobile components. However, few NMR methods are available to detect the segments that undergo intermediate-amplitude fast motion...
February 28, 2024: Journal of Physical Chemistry. B
https://read.qxmd.com/read/38412777/exploring-the-potential-of-the-vitamin-b-12-derivative-azidocobalamin-to-undergo-huisgen-1-3-dipolar-azide-alkyne-cycloaddition-reactions
#40
JOURNAL ARTICLE
Ben J Stackpole, Jessica M Fredericksen, Nicola E Brasch
There is considerable interest in using the metalloprotein cofactor vitamin B12 as a vehicle to deliver drugs and diagnostic agents into mammalian or bacterial cells by exploiting the B12 -specific active uptake pathways. Conjugation of the cargo via the β-axial site or the 5'-OH of the ribose of the nucleotide are the most desirable sites, to maximise intracellular uptake. Herein we show the potential of conjugation at the beta-azido ligand of the vitamin B12 derivative azidocobalamin via a click-type azide-alkyne 1,3-dipolar cycloaddition (Huisgen cycloaddition) reaction...
February 10, 2024: Journal of Inorganic Biochemistry
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