Results 41 to 50 of about 48,440 (236)

Suppressing Metal–Molecule Charge Transfer With a Phosphorus Interlayer

Advanced Materials Interfaces, EarlyView.
Phosphorus forms stable reconstructions with remarkable properties on various metal substrates. Here, using a spectroscopic approach, its role as an effective buffer layer on Cu(110) is demonstrated, preventing charge transfer to adsorbed Zn‐tetraphenylporphyrins (ZnTPP).
Mattia Bassotti, Luca Floreano, Luca Schio, Sergio Salaverria, Dimas G. de Oteyza, Giacomo Giorgi, Frederik Schiller, Alberto Verdini   +7 more
wiley   +1 more source

High Pressure Thermoelasticity of Body-centered Cubic Tantalum

, 2001
We have investigated the thermoelasticity of body-centered cubic (bcc) tantalum from first principles by using the linearized augmented plane wave (LAPW) and mixed--basis pseudopotential methods for pressures up to 400 GPa and temperatures up to 10000 K.
A. Bansil, A.C. Holt, A.C. Mitchell, D. Alfe, E. Walker, E. Wasserman, E.B. Christoffel, F.H. Ree, G. Steinle-Neumann, G.F. Davies, H. Cynn, H. Cynn, H.J. Monkhorst, J.P. Perdew, J.P. Perdew, K.W. Katahara, K.W. Katahara, N. Troullier, N.D. Mermin, O. Gülseren, O. Gülseren, P. Söderlind, P. Vinet, P. Vinet, R. E. Cohen, R. Prasad, R.E. Cohen, R.E. Cohen, R.W. Hill, S.G. Louie, S.H. Wei, T.H.K. Barron, W.R. Fehlner   +32 more
core   +1 more source

A Novel Y-Shaped, S–O–N–O–S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease [PDF]

, 2023
Kai S. Yang, Lauren R. Blankenship, Syuan‐Ting Kuo, Yan Sheng, Pingwei Li, Carol A. Fierke, David H. Russell, Xin Yan, Shiqing Xu, Wenshe Ray Liu   +9 more
openalex   +1 more source

Machine‐Learning‐Guided Design of Incommensurate Antiferroelectrics via Field‐Driven Phase Engineering

Advanced Science, EarlyView.
The key to enhancing the energy storage performance of antiferroelectrics lies in regulating the phase transition and reverse phase transition. A phase‐field‐machine learning framework is employed to predict the energy storage performance of Pb‐based incommensurate antiferroelectrics with multi‐scale regulation strategy, thereby revealing the dynamic ...
Ke Xu, Xiaoming Shi, Zhaochen Xi, Shouzhe Dong, Changqing Guo, Rongzhen Gao, Letao Yang, Jing Wang, Di Zhou, Houbing Huang   +9 more
wiley   +1 more source

4-[Bis(3-phenyl-1H-pyrazol-1-yl)meth-yl]benzene-1,2-diol [PDF]

, 2011
The title compound, C25H20N4O2, is a ditopic ortho-hydro­quinone-based bis­(pyrazol-1-yl)methane ligand. The dihedral angles between the planes of the pyrazole rings and their attached phenyl rings are 17.4 (3) and 5.9 (4)°.
Blasberg, Florian, Lerner, Hans-Wolfram, Bolte, Michael   +2 more
core   +2 more sources

Computational study of structural and elastic properties of random AlGaInN alloys

, 2010
In this work we present a detailed computational study of structural and elastic properties of cubic AlGaInN alloys in the framework of Keating valence force field model, for which we perform accurate parametrization based on state of the art DFT ...
Ambacher O, Chen A B, J A Majewski, Jeffs N J Blant A V Cheng T S Foxon C T Bailey C Harrison P G Mosselmans J F W Dent A J, M Łopuszyński, Thorpe M F, Vegard L, Zi J, Zi J, Łopuszyński M   +9 more
core   +1 more source

On the Multiple Access Channel with Asynchronous Cognition

, 2016
In this paper we introduce the two-user asynchronous cognitive multiple access channel (ACMAC). This channel model includes two transmitters, an uninformed one, and an informed one which knows prior to the beginning of a transmission the message which ...
Leshem, Amir, Somekh-Baruch, Anelia, Yemini, Michal   +2 more
core   +1 more source

Monopsony in Online Labor Markets

American Economic Review: Insights, 2020
Despite the seemingly low switching and search costs of on-demand labor markets like Amazon Mechanical Turk, we find substantial monopsony power, as measured by the elasticity of labor supply facing the requester (employer).
Arindrajit Dubé, Jeff Jacobs, S. Naidu, Siddharth Suri   +3 more
semanticscholar   +1 more source

Observation of elastic anomalies driven by coexisting dynamical spin Jahn-Teller effect and dynamical molecular spin state in paramagnetic phase of the frustrated MgCr$_2$O$_4$$

, 2012
Ultrasound velocity measurements of magnesium chromite spinel MgCr$_2$O$_4$ reveal elastic anomalies in the paramagnetic phase that are characterized as due to geometrical frustration.
B. Lüthi, Haruki Suzuki, Keisuke Tomiyasu, Shin-Ichi Ishikawa, Tadataka Watanabe, Yusuke Kousaka   +5 more
core   +1 more source

Anisotropic interaction of two-level systems with acoustic waves in disordered crystals

, 2008
We apply the model introduced in Phys. Rev. B 75, 064202 (2007), cond-mat/0610469, to calculate the anisotropy effect in the interaction of two level systems with phonons in disordered crystals.
B. A. Auld, Dmitry Churochkin, Dragoş-Victor Anghel, P. Esquinazi   +3 more
core   +1 more source