First-principles exploration of the versatile configurations at an alkynyl-protected coinage metal(111) interface

Nanoscale ◽

10.1039/d0nr07387c ◽

2021 ◽

Author(s):

Fang Sun ◽

Qing Tang

Keyword(s):

First Principles ◽

Coinage Metal ◽

Metal Sensitivity

An alkynyl-induced interface shows strong metal sensitivity, where a staple motif dominates for the alkynyl/Au interface, while a bridge motif is preferred for the alkynyl/Ag(Cu) interface.

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First-principles simulations on suspended coinage-metal nanotubes composed of different atomic species

Physical Chemistry Chemical Physics ◽

10.1039/c3cp44169e ◽

2013 ◽

Vol 15 (13) ◽

pp. 4610 ◽

Cited By ~ 6

Author(s):

Wei Fa ◽

Jian Zhou ◽

Jinming Dong

Keyword(s):

First Principles ◽

Coinage Metal ◽

Atomic Species ◽

Metal Nanotubes

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Equilibrium ground-state properties of the ternary alkali metal coinage metal phosphides K2CuP and K2AgP: New insights from first principles calculations

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2019.07.013 ◽

2019 ◽

Vol 804 ◽

pp. 128-138 ◽

Cited By ~ 1

Author(s):

Said Maabed ◽

Mohamed Halit ◽

Abdelmadjid Bouhemadou ◽

Abdelnour Benmakhlouf ◽

Mohamed Bouchenafa

Keyword(s):

Alkali Metal ◽

Ground State ◽

First Principles ◽

First Principles Calculations ◽

Coinage Metal ◽

Ground State Properties ◽

Metal Phosphides

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Modulating Bond Lengths via Backdonation: A First-Principles Investigation of a Quinonoid Zwitterion Adsorbed to Coinage Metal Surfaces

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.6b00360 ◽

2016 ◽

Vol 120 (12) ◽

pp. 6633-6641 ◽

Cited By ~ 7

Author(s):

Scott Simpson ◽

James Hooper ◽

Daniel P. Miller ◽

Donna A. Kunkel ◽

Axel Enders ◽

...

Keyword(s):

First Principles ◽

Metal Surfaces ◽

Coinage Metal ◽

Bond Lengths

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Structural Stability and Electronic and Optical Properties of Coinage-Metal (4, 2) Alloy Nanotubes: A First-Principles Study

Journal of the Korean Physical Society ◽

10.3938/jkps.74.555 ◽

2019 ◽

Vol 74 (6) ◽

pp. 555-562

Author(s):

Xi-Zhi Wang ◽

Liang-Cai Ma ◽

Ling Ma ◽

Xue-Ling Lin ◽

Jian-Min Zhang

Keyword(s):

Optical Properties ◽

Structural Stability ◽

First Principles ◽

Coinage Metal ◽

Electronic And Optical Properties ◽

First Principles Study

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Coinage metal (4, 4) nanotubes, simulated by first-principles calculations

The Journal of Chemical Physics ◽

10.1063/1.3601920 ◽

2011 ◽

Vol 134 (24) ◽

pp. 244504 ◽

Cited By ~ 7

Author(s):

Wei Fa ◽

Jian Zhou ◽

Jinming Dong ◽

Y. Kawazoe

Keyword(s):

First Principles ◽

First Principles Calculations ◽

Coinage Metal

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First-principles investigation on vibrational properties of coinage metal (4, 2) nanotubes

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2017.08.009 ◽

2017 ◽

Vol 1117 ◽

pp. 285-291 ◽

Cited By ~ 1

Author(s):

Aping Yang ◽

Dongming Li ◽

Yankun Zhen ◽

Guoxiang Chen ◽

Ping Guo

Keyword(s):

First Principles ◽

Vibrational Properties ◽

Coinage Metal

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Metaphysical First Principles of the Doctrine of Virtue

Kant: <I>The Metaphysics of Morals</I> ◽

10.1017/9781316091388.008 ◽

2018 ◽

pp. 149-182 ◽

Cited By ~ 1

Keyword(s):

First Principles

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Transferability of first principles derived torsional potentials for mesogenic molecules and fragments

Molecular Physics ◽

10.1080/00268979809482281 ◽

1998 ◽

Vol 93 (6) ◽

pp. 947-954 ◽

Cited By ~ 12

Author(s):

C.J. ADAM ◽

S.J. CLARK ◽

M.R. WILSON ◽

G.J. ACKLAND ◽

J. CRAIN

Keyword(s):

First Principles ◽

Torsional Potentials

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A first-principles Hartree-Fock description of MnO at high pressures

Philosophical Magazine B ◽

10.1080/014186398259112 ◽

1998 ◽

Vol 77 (4) ◽

pp. 1063-1075

Author(s):

W. C. Mackrodt, E.-A. Williamson, D. W

Keyword(s):

First Principles ◽

High Pressures ◽

Hartree Fock

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Review of From First Principles: An Experiment on Ageing.

Contemporary Psychology ◽

10.1037/000630 ◽

1997 ◽

Vol 42 (2) ◽

pp. 173-174

Author(s):

Terri Gullickson

Keyword(s):

First Principles

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