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Publications

Measurements of Oxygen Electroadsorption Energies and Oxygen Evolution Reaction on RuO 2 (110): A Discussion of the Sabatier Principle and Its Role in Electrocatalysis

Cornell Affiliated Author(s)
Author
D.-Y. Kuo
H. Paik
J. Kloppenburg
B. Faeth
K.M. Shen
D.G. Schlom
G. Hautier
J. Suntivich
Abstract

We report the hydroxide (OH ad ) and oxide (O ad ) experimental electroadsorption free energies, their dependences on pH, and their correlations to the oxygen evolution reaction (OER) electrocatalysis on RuO 2 (110) surface. The Sabatier principle predicts that catalyst is most active when the intermediate stabilization is moderate, not too strong such that the bound intermediate disrupts the subsequent catalytic cycle, nor too weak such that the surface is ineffective.

Journal
Journal of the American Chemical Society
Date Published
Group (Lab)
Kyle Shen Group

Common glass-forming spin-liquid state in the pyrochlore magnets Dy2Ti2 O7 and Ho2Ti2 O7

Cornell Affiliated Author(s)
Author
A.B. Eyvazov
R. Dusad
T.J.S. Munsie
H.A. Dabkowska
G.M. Luke
E.R. Kassner
J.C.S. Davis
A. Eyal
Abstract

Despite a well-ordered pyrochlore crystal structure and strong magnetic interactions between the Dy3+ or Ho3+ ions, no long-range magnetic order has been detected in the pyrochlore titanates Ho2Ti2O7 and Dy2Ti2O7. To explore the actual magnetic phase formed by cooling these materials, we measure their magnetization dynamics using toroidal, boundary-free magnetization transport techniques.

Journal
Physical Review B
Date Published
Group (Lab)
J.C. Seamus Davis Group

Cluster representations and the Wolff algorithm in arbitrary external fields

Cornell Affiliated Author(s)
Author
J. Kent-Dobias
J.P. Sethna
Abstract

We introduce a natural way to extend celebrated spin-cluster Monte Carlo algorithms for fast thermal lattice simulations at criticality, such as the Wolff algorithm, to systems in arbitrary fields, be they linear magnetic vector fields or nonlinear anisotropic ones. By generalizing the "ghost spin" representation to one with a "ghost transformation," global invariance to spin symmetry transformations is restored at the cost of an extra degree of freedom which lives in the space of symmetry transformations. The ordinary cluster-building process can then be run on the representation.

Journal
Physical Review E
Date Published
Funding Source
1719490
Group (Lab)
James Sethna Group

Fast semistochastic heat-bath configuration interaction

Cornell Affiliated Author(s)
Author
Junhao Li
Matthew Otten
Adam Holmes
Sandeep Sharma
C. Umrigar
Abstract

This paper presents in detail our fast semistochastic heat-bath configuration interaction (SHCI) method for solving the many-body Schrödinger equation. We identify and eliminate computational bottlenecks in both the variational and perturbative steps of the SHCI algorithm. We also describe the parallelization and the key data structures in our implementation, such as the distributed hash table.

Journal
Journal of Chemical Physics
Date Published
Funding Source
1445606
1534965
1800584
ACI-1445606
Group (Lab)
Cyrus Umrigar Group

Quantum Spin Liquid Intertwining Nematic and Superconducting Order in Fese

Cornell Affiliated Author(s)
Author
J.-H. She
M.J. Lawler
Eun-Ah Kim
Abstract

Despite its seemingly simple composition and structure, the pairing mechanism of FeSe remains an open problem due to several striking phenomena. Among them are nematic order without magnetic order, nodeless gap and unusual inelastic neutron spectra with a broad continuum, and gap anisotropy consistent with orbital selection of unknown origin. Here we propose a microscopic description of a nematic quantum spin liquid that reproduces key features of neutron spectra. We then study how the spin fluctuations of the local moments lead to pairing within a spin-fermion model.

Journal
Physical Review Letters
Date Published
Group (Lab)
Michael Lawler Group

Phase diagram of Bi2Sr2CaCu2O8+δ revisited

Cornell Affiliated Author(s)
Author
I.K. Drozdov
I. Pletikosić
C.-K. Kim
K. Fujita
G.D. Gu
J.C.S. Davis
P.D. Johnson
I. Božović
T. Valla
Abstract

In cuprate superconductors, the doping of carriers into the parent Mott insulator induces superconductivity and various other phases whose characteristic temperatures are typically plotted versus the doping level p. In most materials, p cannot be determined from the chemical composition, but it is derived from the superconducting transition temperature, Tc, using the assumption that the Tc dependence on doping is universal.

Journal
Nature Communications
Date Published
Group (Lab)
J.C. Seamus Davis Group

A 250 μm × 57 μm Microscale Opto-electronically Transduced Electrodes (MOTEs) for Neural Recording

Cornell Affiliated Author(s)
Author
S. Lee
A.J. Cortese
A.P. Gandhi
E.R. Agger
P.L. McEuen
A.C. Molnar
Abstract

Recording neural activity in live animals in vivo with minimal tissue damage is one of the major barriers to understanding the nervous system. This paper presents the technology for a tetherless opto-electronic neural interface based on 180 nm CMOS circuits, heterogeneously integrated with an AlGaAs diode that functions as both a photovoltaic and light emitting diode.

Journal
IEEE Transactions on Biomedical Circuits and Systems
Date Published
Funding Source
DMR-1120296
ECCS-1542081
R21EY027581
Group (Lab)
Paul McEuen Group

Erratum to: Self-organization of a human organizer by combined Wnt and Nodal signalling (Nature, (2018), 558, 7708, (132-135), 10.1038/s41586-018-0150-y)

Cornell Affiliated Author(s)
Author
I. Martyn
T.Y. Kanno
A. Ruzo
E.D. Siggia
A.H. Brivanlou
Abstract

Ref. 7 from Benvenisty and colleagues was inadvertently omitted; this has now been cited in the text and added to the reference list, and subsequent references have been renumbered. The Letter has been corrected online. © 2018, Springer Nature Limited.

Journal
Nature
Date Published
Research Area

High Photoresponse in Conformally Grown Monolayer MoS2 on a Rugged Substrate

Cornell Affiliated Author(s)
Author
T.K. Nguyen
A.D. Nguyen
C.T. Le
F. Ullah
Z. Tahir
K.-I. Koo
Eun-Ah Kim
D.-W. Kim
J.I. Jang
Y.S. Kim
Abstract

Conformal growth of atomic-thick semiconductor layers on patterned substrates can boost up the performance of electronic and optoelectronic devices remarkably. However, conformal growth is a very challenging technological task, since the control of the growth processes requires utmost precision. Herein, we report on conformal growth and characterization of monolayer MoS2 on planar, microrugged, and nanorugged SiO2/Si substrates via metal-organic chemical vapor deposition.

Journal
ACS Applied Materials and Interfaces
Date Published
Group (Lab)

Vortex Dynamics and Losses Due to Pinning: Dissipation from Trapped Magnetic Flux in Resonant Superconducting Radio-Frequency Cavities

Cornell Affiliated Author(s)
Author
D.B. Liarte
D. Hall
P.N. Koufalis
A. Miyazaki
A. Senanian
M. Liepe
J.P. Sethna
Abstract

We use a model of vortex dynamics and collective weak-pinning theory to study the residual dissipation due to trapped magnetic flux in a dirty superconductor. Using simple estimates, approximate analytical calculations, and numerical simulations, we make predictions and comparisons with experiments performed in CERN and Cornell on resonant superconducting radio-frequency NbCu, doped-Nb and Nb3Sn cavities.

Journal
Physical Review Applied
Date Published
Funding Source
OIA-1549132
PHY-1416318
1734189
1416318
Group (Lab)
James Sethna Group