Outputs (2698)

Delayed Fluorescence by Triplet–Triplet Annihilation from Columnar Liquid Crystal Films (2022)
Journal Article
Gomes Franca, L., dos Santos, P. L., Pander, P., Cabral, M. G., Cristiano, R., Cazati, T., …Eccher, J. (2022). Delayed Fluorescence by Triplet–Triplet Annihilation from Columnar Liquid Crystal Films. ACS Applied Electronic Materials, 4(7), https://doi.org/10.1021/acsaelm.2c00432

Delayed fluorescence (DF) by triplet–triplet annihilation (TTA) is observed in solutions of a benzoperylene-imidoester mesogen that shows a hexagonal columnar mesophase at room temperature in the neat state. A similar benzoperylene-imide with a sligh... Read More about Delayed Fluorescence by Triplet–Triplet Annihilation from Columnar Liquid Crystal Films.

Aging in a mean field elastoplastic model of amorphous solids (2020)
Journal Article
Parley, J. T., Fielding, S. M., & Sollich, P. (2020). Aging in a mean field elastoplastic model of amorphous solids. Physics of Fluids, 32(12), Article 127104. https://doi.org/10.1063/5.0033196

We construct a mean-field elastoplastic description of the dynamics of amorphous solids under arbitrary time-dependent perturbations, building on the work of Lin and Wyart [Phys. Rev. X 6, 011005 (2016)] for steady shear. Local stresses are driven by... Read More about Aging in a mean field elastoplastic model of amorphous solids.

Density inversion method for local basis sets without potential auxiliary functions: inverting densities from RDMFT (2022)
Journal Article
Bousiadi, S., Gidopoulos, N. I., & Lathiotakis, N. N. (2022). Density inversion method for local basis sets without potential auxiliary functions: inverting densities from RDMFT. Physical Chemistry Chemical Physics, 24(32), 19279-19286. https://doi.org/10.1039/d2cp01866g

A density inversion method is presented, to obtain the constrained, optimal, local potential that has a prescribed asymptotic behaviour and reproduces optimally any given ground-state electronic density. This work builds upon the method of [Callow et... Read More about Density inversion method for local basis sets without potential auxiliary functions: inverting densities from RDMFT.

Electric field and strain-induced band-gap engineering and manipulation of the Rashba spin splitting in Janus van der Waals heterostructures (2022)
Journal Article
Patel, S., Dey, U., Adhikari, N. P., & Taraphder, A. (2022). Electric field and strain-induced band-gap engineering and manipulation of the Rashba spin splitting in Janus van der Waals heterostructures. Physical Review B, 106(3), Article 035125. https://doi.org/10.1103/physrevb.106.035125

The compositional as well as structural asymmetries in Janus transition metal dichalcogenides (J-TMDs) and their van der Waals heterostructures (vdW HSs) induce an intrinsic Rashba spin splitting. We investigate the variation of band gaps and the Ras... Read More about Electric field and strain-induced band-gap engineering and manipulation of the Rashba spin splitting in Janus van der Waals heterostructures.

Experimental diagenesis using present-day submarine turbidite sands (2022)
Journal Article
Bello, A. M., Charlaftis, D., Jones, S. J., Gluyas, J., Acikalin, S., Cartigny, M., & Al-Ramadan, K. (2022). Experimental diagenesis using present-day submarine turbidite sands. Frontiers in Earth Science, 10, https://doi.org/10.3389/feart.2022.952690

Hydrothermal-reactor experiments were conducted to investigate the potential formation of chlorite and microquartz grain coatings on detrital quartz and feldspar grains, and to understand their role in inhibiting the formation of quartz cement and fe... Read More about Experimental diagenesis using present-day submarine turbidite sands.

Power fluctuations in sheared amorphous materials: A minimal model (2022)
Journal Article
Ekeh, T., Fodor, É., Fielding, S. M., & Cates, M. E. (2022). Power fluctuations in sheared amorphous materials: A minimal model. Physical Review E, 105(5), Article L052601. https://doi.org/10.1103/physreve.105.l052601

The importance of mesoscale fluctuations in flowing amorphous materials is widely accepted, without a clear understanding of their role. We propose a mean-field elastoplastic model that admits both stress and strain-rate fluctuations, and investigate... Read More about Power fluctuations in sheared amorphous materials: A minimal model.

DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science (2022)
Journal Article
Teale, A. M., Helgaker, T., Savin, A., Adano, C., Aradi, B., Arbuznikov, A. V., …Yang, W. (2022). DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science. Physical Chemistry Chemical Physics, 24(47), 28700-28781. https://doi.org/10.1039/d2cp02827a

In this paper, the history, present status, and future of density-functional theory (DFT) is informally reviewed and discussed by 70 workers in the field, including molecular scientists, materials scientists, method developers and practitioners. The... Read More about DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science.

Elongation of skyrmions by Dzyaloshinskii–Moriya interaction in helimagnetic films (2022)
Journal Article
Dai, Y., Wang, H., Yang, T., Adeyeye, A. O., & Zhang, Z. (2022). Elongation of skyrmions by Dzyaloshinskii–Moriya interaction in helimagnetic films. Rare Metals, 41(9), 3150-3159. https://doi.org/10.1007/s12598-022-02023-z

Distortion of skyrmions arouses much attention recently due to the exotic topological and dynamic properties. Investigating the formation mechanism and dynamical behavior of the deformed skyrmions promotes practical spintronic applications. Elongatio... Read More about Elongation of skyrmions by Dzyaloshinskii–Moriya interaction in helimagnetic films.

Radio-Frequency Manipulation of State Populations in an Entangled Fluorine-Muon-Fluorine System (2022)
Journal Article
Billington, D., Riordan, E., Salman, M., Margineda, D., Gill, G. J., Cottrell, S. P., …Giblin, S. R. (2022). Radio-Frequency Manipulation of State Populations in an Entangled Fluorine-Muon-Fluorine System. Physical Review Letters, 129(7), https://doi.org/10.1103/physrevlett.129.077201

Entangled spin states are created by implanting muons into single-crystal LiY0.95Ho0.05F4 to form a cluster of correlated, dipole-coupled local magnetic moments. The resulting states have well-defined energy levels allowing experimental manipulation... Read More about Radio-Frequency Manipulation of State Populations in an Entangled Fluorine-Muon-Fluorine System.

Possible realization of the Majumdar-Ghosh point in the mineral szenicsite (2022)
Journal Article
Berlie, A., & Terry, I. (2022). Possible realization of the Majumdar-Ghosh point in the mineral szenicsite. Physical Review B, 105(22), Article L220404. https://doi.org/10.1103/physrevb.105.l220404

The Majumder-Ghosh (MG) point is a point in parameter space for a one-dimensional (1D) frustrated system where α = J 1 / J 2 = 0.5 and the ground state is shown to be a superposition of singlet states. This leads to no magnetic order, instead the gro... Read More about Possible realization of the Majumdar-Ghosh point in the mineral szenicsite.

Complementing machine learning‐based structure predictions with native mass spectrometry (2022)
Journal Article
Allison, T. M., Degiacomi, M. T., Marklund, E. G., Jovine, L., Elofsson, A., Benesch, J. L., & Landreh, M. (2022). Complementing machine learning‐based structure predictions with native mass spectrometry. Protein Science, 31(6), Article e4333. https://doi.org/10.1002/pro.4333

The advent of machine learning-based structure prediction algorithms such as AlphaFold2 (AF2) and RoseTTa Fold have moved the generation of accurate structural models for the entire cellular protein machinery into the reach of the scientific communit... Read More about Complementing machine learning‐based structure predictions with native mass spectrometry.

Modulated Fluorescence in LB Films Based on DADQs—A Potential Sensing Surface? (2022)
Journal Article
Szablewski, M., Thompson, R. L., & Pålsson, L. (2022). Modulated Fluorescence in LB Films Based on DADQs—A Potential Sensing Surface?. Molecules, 27(12), Article 3893. https://doi.org/10.3390/molecules27123893

Novel fluorescent Langmuir-Blodgett (LB) films have been constructed from three different amphiphilic dicynaoquinodimethanes (DADQs). The DADQs varied in functional group structure, which had an impact on the LB film structure and the fluorescence pr... Read More about Modulated Fluorescence in LB Films Based on DADQs—A Potential Sensing Surface?.

Structural origins of the infamous "Low Temperature Orthorhombic" to "Low Temperature Tetragonal" phase transition in high-Tc cuprates (2022)
Journal Article
Tidey, J. P., Keegan, C., Bristowe, N. C., Mostofi, A. A., Hong, Z., Chen, B., …Senn, M. S. (2022). Structural origins of the infamous "Low Temperature Orthorhombic" to "Low Temperature Tetragonal" phase transition in high-Tc cuprates. Physical Review B, 106(8), Article 085112. https://doi.org/10.1103/physrevb.106.085112

We undertake a detailed high-resolution diffraction study of a plain band insulator, La2MgO4, which may be viewed as a structural surrogate system of the undoped end-member of the high-Tc superconductor family La2−x−yA2+xR3+yCuO 4 (A=Ba,Sr;R=rare ear... Read More about Structural origins of the infamous "Low Temperature Orthorhombic" to "Low Temperature Tetragonal" phase transition in high-Tc cuprates.

Near-Infrared Circularly Polarised Luminescence from Helically Extended Chiral N,N,O,O -Boron Chelated Dipyrromethenes (2022)
Journal Article
Algoazy, N., Clarke, R. G., Penfold, T. J., Waddell, P. G., Probert, M. R., Aerts, R., …Knight, J. G. (2022). Near-Infrared Circularly Polarised Luminescence from Helically Extended Chiral N,N,O,O -Boron Chelated Dipyrromethenes. ChemPhotoChem, 6(9), Article e202200090. https://doi.org/10.1002/cptc.202200090

Synthetically straightforward π-extension of helically chiral N,N,O,O-boron chelated borondipyrromethenes (BODIPYs) has been achieved by incorporation of naphthyl rings into the BODIPY 3- and 5-positions. The effect of this extension on the photophys... Read More about Near-Infrared Circularly Polarised Luminescence from Helically Extended Chiral N,N,O,O -Boron Chelated Dipyrromethenes.

Comparative Study of Lipid- and Polymer-Supported Membranes Obtained by Vesicle Fusion (2022)
Journal Article
Goodband, R. J., Bain, C. D., & Staykova, M. (2022). Comparative Study of Lipid- and Polymer-Supported Membranes Obtained by Vesicle Fusion. Langmuir, 38(18), 5674-5681. https://doi.org/10.1021/acs.langmuir.2c00266

We compare the fusion of giant lipid and block-copolymer vesicles on glass and poly(dimethylsiloxane) substrates. Both types of vesicles are similar in their ability to fuse to hydrophilic substrates and form patches with distinct heart or circular s... Read More about Comparative Study of Lipid- and Polymer-Supported Membranes Obtained by Vesicle Fusion.

Systematic characterization of effect of flow rates and buffer compositions on double emulsion droplet volumes and stability (2022)
Journal Article
Calhoun, S. G., Brower, K. K., Suja, V. C., Kim, G., Wang, N., McCully, A. L., …Fordyce, P. M. (2022). Systematic characterization of effect of flow rates and buffer compositions on double emulsion droplet volumes and stability. Lab on a Chip, 22(12), https://doi.org/10.1039/d2lc00229a

Double emulsion droplets (DEs) are water/oil/water droplets that can be sorted via fluorescence-activated cell sorting (FACS), allowing for new opportunities in high-throughput cellular analysis, enzymatic screening, and synthetic biology. These appl... Read More about Systematic characterization of effect of flow rates and buffer compositions on double emulsion droplet volumes and stability.

The Effect of Imide Substituents on the Excited State Properties of Perylene Diimide Derivatives (2022)
Journal Article
Aksoy, E., Danos, A., Li, C., Monkman, A., & Varlikli, C. (2022). The Effect of Imide Substituents on the Excited State Properties of Perylene Diimide Derivatives. Turkish journal of science and technology, 17(1), 11-21. https://doi.org/10.55525/tjst.952823

Solid state optical properties of fluorescent materials are important for many photonic devices such as organic light emitting diodes, frequency down-converters or luminescent solar concentrators. Perylene diimides (PDIs) represent one of the most po... Read More about The Effect of Imide Substituents on the Excited State Properties of Perylene Diimide Derivatives.

Shear-Driven Solidification and Nonlinear Elasticity in Epithelial Tissues (2022)
Journal Article
Huang, J., Cochran, J. O., Fielding, S. M., Marchetti, M. C., & Bi, D. (2022). Shear-Driven Solidification and Nonlinear Elasticity in Epithelial Tissues. Physical Review Letters, 128(17), https://doi.org/10.1103/physrevlett.128.178001

Biological processes, from morphogenesis to tumor invasion, spontaneously generate shear stresses inside living tissue. The mechanisms that govern the transmission of mechanical forces in epithelia and the collective response of the tissue to bulk sh... Read More about Shear-Driven Solidification and Nonlinear Elasticity in Epithelial Tissues.

Vibronic effects accelerate the intersystem crossing processes of the through-space charge transfer states in the triptycene bridged acridine–triazine donor–acceptor molecule TpAT-tFFO (2022)
Journal Article
Kaminski, J. M., Rodríguez-Serrano, A., Dinkelbach, F., Miranda-Salinas, H., Monkman, A. P., & Marian, C. M. (2022). Vibronic effects accelerate the intersystem crossing processes of the through-space charge transfer states in the triptycene bridged acridine–triazine donor–acceptor molecule TpAT-tFFO. Chemical Science, 13(23), https://doi.org/10.1039/d1sc07101g

Quantum chemical studies employing combined density functional and multireference configuration interaction methods suggest five excited electronic states to be involved in the prompt and delayed fluorescence emission of TpAT-tFFO. Three of them, a p... Read More about Vibronic effects accelerate the intersystem crossing processes of the through-space charge transfer states in the triptycene bridged acridine–triazine donor–acceptor molecule TpAT-tFFO.

Toggle-like current-induced Bloch point dynamics of 3D skyrmion strings in a room temperature nanowire (2022)
Journal Article
Birch, M., Cortés-Ortuño, D., Litzius, K., Wintz, S., Schulz, F., Weigand, M., …Schütz, G. (2022). Toggle-like current-induced Bloch point dynamics of 3D skyrmion strings in a room temperature nanowire. Nature Communications, 13(1), Article 3630. https://doi.org/10.1038/s41467-022-31335-y

Research into practical applications of magnetic skyrmions, nanoscale solitons with interesting topological and transport properties, has traditionally focused on two dimensional (2D) thin-film systems. However, the recent observation of novel three... Read More about Toggle-like current-induced Bloch point dynamics of 3D skyrmion strings in a room temperature nanowire.