Wenchang Lu

Works (35)

2020 journal article

Engineering Edge States of Graphene Nanoribbons for Narrow-Band Photoluminescence

ACS NANO, 14(4), 5090–5098.

By: C. Ma, Z. Xiao, A. Puretzky, H. Wang, A. Mohsin, J. Huang, L. Liang, Y. Luo ...

Source: Web Of Science
Added: May 18, 2020

2020 journal article

Identification of Efficient Single-Atom Catalysts Based on V2CO2 MXene by ab Initio Simulations

JOURNAL OF PHYSICAL CHEMISTRY C, 124(7), 4090–4100.

By: X. Yang, Z. Lu, C. Cheng, Y. Wang, X. Zhang, Z. Yang, W. Lu

Source: Web Of Science
Added: March 16, 2020

2019 journal article

Design of Atomically Precise Nanoscale Negative Differential Resistance Devices

ADVANCED THEORY AND SIMULATIONS, 2(2).

By: Z. Xiao, C. Ma, J. Huang, L. Liang, W. Lu, K. Hong, B. Sumpter, A. Li, J. Bernholc

Source: NC State University Libraries
Added: February 18, 2019

2019 journal article

Direct writing of heterostructures in single atomically precise graphene nanoribbons

PHYSICAL REVIEW MATERIALS, 3(1).

By: C. Ma, Z. Xiao, J. Huang, L. Liang, W. Lu, K. Hong, B. Sumpter, J. Bernholc, A. Li

Source: NC State University Libraries
Added: January 21, 2019

2019 journal article

Insights into the Morphotropic Phase Boundary in Ferroelectric Polymers from the Molecular Perspective

JOURNAL OF PHYSICAL CHEMISTRY C, 123(14), 8727–8730.

By: Y. Liu, B. Zhang, A. Haibibu, W. Xu, Z. Han, W. Lu, J. Bernholc, Q. Wang

Source: Web Of Science
Added: May 6, 2019

2018 journal article

Ferroelectric polymers exhibiting behaviour reminiscent of a morphotropic phase boundary

NATURE, 562(7725), 96-.

By: Y. Liu, H. Aziguli, B. Zhang, W. Xu, W. Lu, J. Bernholc, Q. Wang

Source: NC State University Libraries
Added: October 16, 2018

2018 journal article

Oxidization stability of atomically precise graphene nanoribbons

Physical Review Materials, 2(1).

By: C. Ma, Z. Xiao, A. Puretzky, A. Baddorf, W. Lu, K. Hong, J. Bernholc, A. Li

Source: NC State University Libraries
Added: August 6, 2018

2017 journal article

Seamless staircase electrical contact to semiconducting graphene nanoribbons

Nano Letters, 17(10), 6241–6247.

By: C. Ma, L. Liang, Z. Xiao, A. Puretzky, K. Hong, W. Lu, V. Meunier, J. Bernholc, A. Li

Source: NC State University Libraries
Added: August 6, 2018

2017 journal article

Selective sensing of ethylene and glucose using carbon-nanotube-based sensors: an ab initio investigation

Nanoscale, 9(4), 1687–1698.

By: Y. Li, M. Hodak, W. Lu & J. Bernholc

Source: NC State University Libraries
Added: August 6, 2018

2016 journal article

Mechanisms of NH3 and NO2 detection in carbon-nanotube-based sensors: An ab initio investigation

Carbon, 101, 177–183.

By: Y. Li, M. Hodak, W. Lu & J. Bernholc

Source: NC State University Libraries
Added: August 6, 2018

2013 journal article

Self-organized and cu-coordinated surface linear polymerization

Scientific Reports, 3.

By: Q. Li, J. Owens, C. Han, B. Sumpter, W. Lu, J. Bernholc, V. Meunier, P. Maksymovych, M. Fuentes-Cabrera, M. Pan

Source: NC State University Libraries
Added: August 6, 2018

2012 journal article

Electronic control over attachment and self-assembly of alkyne groups on gold

ACS Nano, 6(10), 9267–9275.

By: Q. Li, C. Han, M. Fuentes-Cabrera, H. Terrones, B. Sumpter, W. Lu, J. Bernholc, J. Yi ...

Source: NC State University Libraries
Added: August 6, 2018

2012 journal article

Supramolecular self-assembly of pi-conjugated hydrocarbons via 2D cooperative CH/pi Interaction

ACS Nano, 6(1), 566–572.

By: Q. Li, C. Han, S. Horton, M. Fuentes-Cabrera, B. Sumpter, W. Lu, J. Bernholc, P. Maksymovych, M. Pan

Source: NC State University Libraries
Added: August 6, 2018

2010 journal article

Electron transport in multiterminal molecular devices: A density functional theory study

Physical Review. B, Condensed Matter and Materials Physics, 81(12).

By: K. Saha, W. Lu, J. Bernholc & V. Meunier

Source: NC State University Libraries
Added: August 6, 2018

2010 journal article

Quantum-interference-controlled three-terminal molecular transistors based on a single ring-shaped molecule connected to graphene nanoribbon electrodes

Physical Review Letters, 105(23).

By: K. Saha, B. Nikolic, V. Meunier, W. Lu & J. Bernholc

Source: NC State University Libraries
Added: August 6, 2018

2009 journal article

First-principles methodology for quantum transport in multiterminal junctions

Journal of Chemical Physics, 131(16).

By: K. Saha, W. Lu, J. Bernholc & V. Meunier

Source: NC State University Libraries
Added: August 6, 2018

2008 journal article

Edge states and optical transition energies in carbon nanoribbons

Physical Review Letters, 101(24).

By: J. Jiang, W. Lu & J. Bernholc

Source: NC State University Libraries
Added: August 6, 2018

2008 journal article

Effects of end group functionalization and level alignment on electron transport in molecular devices

Journal of Chemical Physics, 128(2).

Source: NC State University Libraries
Added: August 6, 2018

2008 journal article

Equivalence of dipole correction and Coulomb cutoff techniques in supercell calculations

Physical Review. B, Condensed Matter and Materials Physics, 77(24).

Source: NC State University Libraries
Added: August 6, 2018

2008 journal article

Hybrid ab initio Kohn-Sham density functional theory/frozen-density orbital-free density functional theory simulation method suitable for biological systems

Journal of Chemical Physics, 128(1).

By: M. Hodak, W. Lu & J. Bernholc

Source: NC State University Libraries
Added: August 6, 2018

2008 journal article

Recent developments and applications of the real-space multigrid method

Journal of Physics. Condensed Matter, 20(29).

By: J. Bernholc, M. Hodak & W. Lu

Source: NC State University Libraries
Added: August 6, 2018

2007 journal article

Ab initio simulations of H-2 in Li-doped carbon nanotube systems

Journal of Physics. Condensed Matter, 19(8).

By: A. Sabir, W. Lu, C. Roland & J. Bernholc

Source: NC State University Libraries
Added: August 6, 2018

2007 journal article

Implementation of ultrasoft pseudopotentials in large-scale grid-based electronic structure calculations

Physical Review. B, Condensed Matter and Materials Physics, 76(8).

By: M. Hodak, S. Wang, W. Lu & J. Bernholc

Source: NC State University Libraries
Added: August 6, 2018

2007 journal article

The radiation damage database: Section on helium cross section

Journal of Nuclear Materials, 361(2-3), 282–288.

By: W. Lu & M. Wechsler

Source: NC State University Libraries
Added: August 6, 2018

2006 journal article

Density functional theory studies of quantum transport in molecular systems

International Journal of Quantum Chemistry, 106(15), 3334–3342.

By: V. Meunier, W. Lu, B. Sumpter & J. Bernholc

Source: NC State University Libraries
Added: August 6, 2018

2006 journal article

Resonant coupling and negative differential resistance in metal/ferrocenyl alkanethiolate/STM structures

Physical Review. B, Condensed Matter and Materials Physics, 74(19).

By: S. Wang, W. Lu, Q. Zhao & J. Bernholc

Source: NC State University Libraries
Added: August 6, 2018

2005 journal article

Carbon nanotube-metal cluster composites: A new road to chemical sensors?

Nano Letters, 5(5), 847–851.

Source: NC State University Libraries
Added: August 6, 2018

2005 journal article

Nonequilibrium quantum transport properties of organic molecules on silicon

Physical Review Letters, 95(20).

By: W. Lu, V. Meunier & J. Bernholc

Source: NC State University Libraries
Added: August 6, 2018

2004 journal article

Atomic indium nanowires on Si(111): the (4x1)-(8x2) phase transition studied with reflectance anisotropy spectroscopy

Applied Surface Science, 234(37990), 302–306.

By: K. Fleischer, S. Chandola, N. Esser, W. Richter, J. McGilp, W. Schmidt, S. Wang, W. Lu, J. Bernholc

Source: NC State University Libraries
Added: August 6, 2018

2004 journal article

Calculation of surface optical properties: from qualitative understanding to quantitative predictions

Thin Solid Films, 455-56(2004 May 1), 764-.

By: W. Schmidt, K. Seino, P. Hahn, E. Bechstedt, W. Lu, S. Wang, J. Bernholc

Source: NC State University Libraries
Added: August 6, 2018

2004 journal article

Oxidation- and organic-molecule-induced changes of the Si surface optical anisotropy: ab initio predictions

Journal of Physics. Condensed Matter, 16(39), S4323–4334.

By: W. Schmidt, F. Fuchs, A. Hermann, K. Seino, F. Bechstedt, R. Passmann, M. Wahl, M. Gensch ...

Source: NC State University Libraries
Added: August 6, 2018

2003 journal article

Cycloaddition reaction versus dimer cleavage at the Si(001): C5H8 interface

Physical Review. B, Condensed Matter and Materials Physics, 68(11).

By: W. Lu, W. Schmidt & J. Bernholc

Source: NC State University Libraries
Added: August 6, 2018

2003 journal article

Nanowire-induced optical anisotropy of the Si(111)-In surface

Physical Review. B, Condensed Matter and Materials Physics, 68(3).

Source: NC State University Libraries
Added: August 6, 2018

2003 journal article

Radiation damage at the aluminum entrance window of the SINQ Target 3

Journal of Nuclear Materials, 318(2003 May 15), 176–184.

By: W. Lu, M. Wechsler & Y. Dai

Source: NC State University Libraries
Added: August 6, 2018

2002 journal article

Interplay of surface reconstruction and surface electric fields in the optical anisotropy of GaAs(001)

Physical Review. B, Condensed Matter and Materials Physics, 66(8), 085334–085331.

By: W. Schmidt, F. Bechstedt, W. Lu & J. Bernholc

Source: NC State University Libraries
Added: August 6, 2018