Jeffrey B. Neaton

Research.com Recognitions

• 2013 - Fellow of American Physical Society (APS) Citation For fundamental contributions to the understanding of phase behavior, electronic structure, and transport properties of condensed matter, particularly multiferroics, nanostructures, and materials for energy conversion and storage

Overview

Best Publications

• Epitaxial BiFeO3 multiferroic thin film heterostructures.

  J. Wang;J. B. Neaton;H. Zheng;V. Nagarajan

  7455
  Citations

• First-principles study of spontaneous polarization in multiferroic Bi Fe O 3

  J. B. Neaton;C. Ederer;U. V. Waghmare;N. A. Spaldin

  1713
  Citations

• First-principles study of metal adatom adsorption on graphene

  Kevin T. Chan;Kevin T. Chan;J. B. Neaton;Marvin L. Cohen;Marvin L. Cohen

  1697
  Citations

• Cooperative insertion of CO2 in diamine-appended metal-organic frameworks

  Thomas M. McDonald;Jarad A. Mason;Xueqian Kong;Eric D. Bloch

  1329
  Citations

• Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

  Evgeny Epifanovsky;Andrew T.B. Gilbert;Andrew T.B. Gilbert;Xintian Feng;Xintian Feng;Joonho Lee

  1230
  Citations

• Synthesis, Characterization, and Theory of [9]-, [12]-, and [18]Cycloparaphenylene: Carbon Nanohoop Structures

  Ramesh Jasti;Joydeep Bhattacharjee;Jeffrey B. Neaton;Carolyn R. Bertozzi

  1044
  Citations

• Renormalization of Molecular Electronic Levels at Metal-Molecule Interfaces

  Jeffrey B. Neaton;Mark S. Hybertsen;Steven G. Louie;Steven G. Louie

  1020
  Citations

• Mechanically controlled binary conductance switching of a single-molecule junction.

  Su Ying Quek;Maria Kamenetska;Michael L. Steigerwald;Hyoung Joon Choi

  797
  Citations

• Response to Comment on "Epitaxial BiFeO3 Multiferroic Thin Film Heterostructures"

  J. Wang;A. Scholl;H. Zheng;S. B. Ogale

  769
  Citations

• Amine-gold linked single-molecule circuits: experiment and theory.

  Su Ying Quek;Latha Venkataraman;Hyoung Joon Choi;Steven G. Louie

  605
  Citations

• Pairing in dense lithium

  J. B. Neaton;N. W. Ashcroft

  500
  Citations

• Single-molecule diodes with high rectification ratios through environmental control

  Brian Capozzi;Jianlong Xia;Olgun Adak;Emma J. Dell

  472
  Citations

• Comprehensive study of carbon dioxide adsorption in the metal–organic frameworks M2(dobdc) (M = Mg, Mn, Fe, Co, Ni, Cu, Zn)

  Wendy L. Queen;Matthew R. Hudson;Eric D. Bloch;Jarad A. Mason

  455
  Citations

• Extrinsic models for the dielectric response of CaCu3Ti4O12

  Morrel H. Cohen;J. B. Neaton;Lixin He;David Vanderbilt

  452
  Citations

• Theory and computation of hot carriers generated by surface plasmon polaritons in noble metals

  Marco Bernardi;Jamal I. Mustafa;Jeffrey B. Neaton;Steven G. Louie

  443
  Citations

• First-principles study of the structure and lattice dielectric response of CaCu 3 Ti 4 O 12

  Lixin He;J. B. Neaton;Morrel H. Cohen;David Vanderbilt

  438
  Citations

• Elastic properties of chemical-vapor-deposited monolayer MoS2, WS2, and their bilayer heterostructures.

  Kai Liu;Qimin Yan;Michelle Chen;Wen Fan;Wen Fan

  435
  Citations

• Theory of polarization enhancement in epitaxial BaTiO3/SrTiO3 superlattices

  J. B. Neaton;Karin Rabe

  417
  Citations

• Extrinsic models for the dielectric response of CaCu{3}Ti{4}O{12}

  Morrel H. Cohen;J. B. Neaton;Lixin He;David Vanderbilt

  410
  Citations

• Cooperative carbon capture and steam regeneration with tetraamine-appended metal–organic frameworks

  Eugene J. Kim;Rebecca L. Siegelman;Rebecca L. Siegelman;Henry Z. H. Jiang;Alexander C. Forse

  400
  Citations

• Facet-dependent photovoltaic efficiency variations in single grains of hybrid halide perovskite

  Sibel Y. Leblebici;Sibel Y. Leblebici;Linn Leppert;Linn Leppert;Yanbo Li;Sebastian E. Reyes-Lillo;Sebastian E. Reyes-Lillo

  396
  Citations