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Items: 1 to 20 of 96

1.

First-principles theoretical study of hydrolysis of stepped and kinked Ga-terminated GaN surfaces.

Oue M, Inagaki K, Yamauchi K, Morikawa Y.

Nanoscale Res Lett. 2013 May 16;8(1):232. doi: 10.1186/1556-276X-8-232.

2.

Dissociative adsorption of CO2 on flat, stepped, and kinked Cu surfaces.

Muttaqien F, Hamamoto Y, Inagaki K, Morikawa Y.

J Chem Phys. 2014 Jul 21;141(3):034702. doi: 10.1063/1.4887362.

PMID:
25053329
3.

Wet chemical functionalization of III-V semiconductor surfaces: alkylation of gallium arsenide and gallium nitride by a Grignard reaction sequence.

Peczonczyk SL, Mukherjee J, Carim AI, Maldonado S.

Langmuir. 2012 Mar 13;28(10):4672-82. doi: 10.1021/la204698a.

PMID:
22372474
5.

Nitrogen interaction with hydrogen-terminated silicon surfaces at the atomic scale.

Dai M, Wang Y, Kwon J, Halls MD, Chabal YJ.

Nat Mater. 2009 Oct;8(10):825-30. doi: 10.1038/nmat2514.

PMID:
19684585
6.

High-resolution X-ray photoelectron spectroscopy of chlorine-terminated GaAs(111)A surfaces.

Traub MC, Biteen JS, Michalak DJ, Webb LJ, Brunschwig BS, Lewis NS.

J Phys Chem B. 2006 Aug 17;110(32):15641-4.

PMID:
16898703
7.

First-principles calculations of the atomic and electronic structure of SrZrO3 and PbZrO3 (001) and (011) surfaces.

Eglitis RI, Rohlfing M.

J Phys Condens Matter. 2010 Oct 20;22(41):415901. doi: 10.1088/0953-8984/22/41/415901.

PMID:
21386602
8.

Structure and chemical reactivity of the polar three-fold surfaces of GaPd: a density-functional study.

Krajčí M, Hafner J.

J Chem Phys. 2013 Mar 28;138(12):124703. doi: 10.1063/1.4795435.

PMID:
23556738
9.

Hydrogen generation by water splitting on hematite (0001) surfaces: first-principles calculations.

Pan H, Meng X, Qin G.

Phys Chem Chem Phys. 2014 Dec 14;16(46):25442-8. doi: 10.1039/c4cp03209h.

PMID:
25342277
10.

Adsorption and activation of CO over flat and stepped Co surfaces: a first principles analysis.

Ge Q, Neurock M.

J Phys Chem B. 2006 Aug 10;110(31):15368-80.

PMID:
16884257
11.

Mechanisms and energetics of hydride dissociation reactions on surfaces of plasma-deposited silicon thin films.

Singh T, Valipa MS, Mountziaris TJ, Maroudas D.

J Chem Phys. 2007 Nov 21;127(19):194703.

PMID:
18035894
12.
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14.

Mechanism of atomic-scale passivation and flattening of semiconductor surfaces by wet-chemical preparations.

Arima K, Endo K, Yamauchi K, Hirose K, Ono T, Sano Y.

J Phys Condens Matter. 2011 Oct 5;23(39):394202. doi: 10.1088/0953-8984/23/39/394202.

PMID:
21921316
15.

Passivation of GaAs nanocrystals by chemical functionalization.

Traub MC, Biteen JS, Brunschwig BS, Lewis NS.

J Am Chem Soc. 2008 Jan 23;130(3):955-64. doi: 10.1021/ja076034p.

PMID:
18171062
16.

An atomistic mechanism study of GaN step-flow growth in vicinal m-plane orientations.

Liu Z, Wang RZ, Zapol P.

Phys Chem Chem Phys. 2016 Oct 26;18(42):29239-29248.

PMID:
27731436
17.

Theoretical study on the role of surface basicity and lewis acidity on the etherification of glycerol over alkaline earth metal oxides.

Calatayud M, Ruppert AM, Weckhuysen BM.

Chemistry. 2009 Oct 19;15(41):10864-70. doi: 10.1002/chem.200900487.

PMID:
19760708
18.

Selective area growth of In(Ga)N/GaN nanocolumns by molecular beam epitaxy on GaN-buffered Si(111): from ultraviolet to infrared emission.

Albert S, Bengoechea-Encabo A, Sánchez-García MA, Kong X, Trampert A, Calleja E.

Nanotechnology. 2013 May 3;24(17):175303. doi: 10.1088/0957-4484/24/17/175303.

PMID:
23558410
19.

Simulation studies on the evolution of gallium nitride on a liquid gallium surface under plasma bombardment.

Vasquez MR Jr, Flauta RE, Wada M.

Rev Sci Instrum. 2008 Feb;79(2 Pt 2):02B910. doi: 10.1063/1.2816965.

PMID:
18315225
20.

A theoretical study of the reactivity of Cu2O(111) surfaces: the case of NO dissociation.

Kishi H, Padama AA, Arevalo RL, Moreno JL, Kasai H, Taniguchi M, Uenishi M, Tanaka H, Nishihata Y.

J Phys Condens Matter. 2012 Jul 4;24(26):262001. doi: 10.1088/0953-8984/24/26/262001.

PMID:
22692043
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