• PhoneUNKNOWN
  • Shore Road, Jordanstown Campus

    BT37 0QB Newtownabbey

    United Kingdom

  • 5040 Citations
  • 37 h-Index
19992020

Research output per year

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Research Output

  • 5040 Citations
  • 37 h-Index
  • 30 Article
  • 1 Conference article
  • 1 Review article
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Article
2020

DFT calculations of the structure and stability of copper clusters on MoS2

Nies, C-L. & Nolan, M., 26 Feb 2020, In : Beilstein Journal of Nanotechnology. 11, p. 391-406

Research output: Contribution to journalArticle

First principles study of reactions in alucone growth: the role of the organic precursor

Muriqi, A. & Nolan, M., 18 Jun 2020, In : Dalton Transactions. 49, 25, p. 8710-8721 12 p.

Research output: Contribution to journalArticle

Mechanism of Thermal Atomic Layer Etch of W Metal Using Sequential Oxidation and Chlorination: A First-Principles Study

Kondati Natarajan, S., Nolan, M., Theofanis, P., Mokhtarzadeh, C. & Clendenning, S. B., 12 Aug 2020, In : ACS Applied Materials & Interfaces. 12, 32, p. 36670-36680 11 p.

Research output: Contribution to journalArticle

Modification of 1D TiO2 nanowires with GaOxNy by atomic layer deposition for TiO2@GaOxNy core-shell nanowires with enhanced photoelectrochemical performance

Tao, J-J., Ma, H-P., Yuan, K-P., Gu, Y., Lian, J-W., Li, X-X., Huang, W., Nolan, M., Lu, H-L. & Zhang, D-W., 24 Feb 2020, In : Nanoscale. 12, 13, p. 7159-7173 15 p.

Research output: Contribution to journalArticle

Molecular Layer Deposition of "Magnesicone", a Magnesium-based Hybrid Material

Kint, J., Mattelaer, F., Vandenbroucke, S. S. T., Muriqi, A., Minjauw, M. M., Nisula, M., Vereecken, P. M., Nolan, M., Dendooven, J. & Detavernier, C., 9 Jun 2020, In : Chemistry of Materials. 32, 11, p. 4451-4466 16 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

On the use of DFT plus U to describe the electronic structure of TiO2 nanoparticles: (TiO2)(35) as a case study: (TiO2)35 as a case study

Morales-García, Á., Rhatigan, S., Nolan, M. & Illas, F., 22 Jun 2020, In : The Journal of chemical physics. 152, 24, 1 p., 244107.

Research output: Contribution to journalArticle

Open Access
File
2 Downloads (Pure)

Predicting the Effect of Dopants on CO2Adsorption in Transition Metal Carbides: Case Study on TiC (001)

López, M., Viñes, F., Nolan, M. & Illas, F., 23 Jul 2020, In : Journal Of Physical Chemistry C. 124, 29, p. 15969-15976 8 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Reaction Mechanism of the Metal Precursor Pulse in Plasma-Enhanced Atomic Layer Deposition of Cobalt and the Role of Surface Facets

Liu, J., Lu, H., Zhang, D. W. & Nolan, M., 15 May 2020, In : Journal Of Physical Chemistry C. 124, 22, p. 11990-12000 11 p.

Research output: Contribution to journalArticle

Self-Limiting Temperature Window for Thermal Atomic Layer Etching of HfO2 and ZrO2 Based on the Atomic-Scale Mechanism

Mullins, R., Natarajan, S. K., Elliott, S. D. & Nolan, M., 2 Apr 2020, In : Chemistry of Materials. 32, 8, p. 3414-3426

Research output: Contribution to journalArticle

The role of Ru passivation and doping on the barrier and seed layer properties of Ru-modified TaN for copper interconnects

Kondati Natarajan, S., Nies, C-L. & Nolan, M., 9 Apr 2020, In : Journal of Chemical Physics. 152, 14, 144701.

Research output: Contribution to journalArticle

2019

Activation of CO2 at chromia-nanocluster-modified rutile and anatase TiO2

Nolan, M. & Fronzi, M., 1 Apr 2019, In : Catalysis Today. 326, p. 68-74

Research output: Contribution to journalArticle

Open Access
File
Open Access
File
2 Citations (Scopus)
4 Downloads (Pure)

Coverage and Stability of NHx-Terminated Cobalt and Ruthenium Surfaces: A First-Principles Investigation

Liu, J. & Nolan, M., 24 Sep 2019, In : Journal Of Physical Chemistry C. 123, 41, p. 25166-25175

Research output: Contribution to journalArticle

2 Citations (Scopus)

Direct Visualization of Independent Ta Centers Supported on Two-Dimensional TiO2 Nanosheets

Bo, Z., Thornburg, N. E., Peng, L., Moreno, J. J. G., Nolan, M., Marks, L. D. & Notestein, J. M., 29 Oct 2019, In : Nano Letters. 19, 11, p. 8103-8108 6 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Effect of Cu doping on the anatase-to-rutile phase transition in TiO2 photocatalysts: Theory and experiments

Byrne, C., Moran, L., Hermosilla, D., Merayo, N., Blanco, A., Rhatigan, S., Hinder, S., Ganguly, P., Nolan, M. & Pillai, S. C., 5 Jun 2019, In : APPLIED CATALYSIS B-ENVIRONMENTAL. 246, p. 266-276

Research output: Contribution to journalArticle

Open Access
File
28 Citations (Scopus)

Ferroelectricity and Large Piezoelectric Response of AlN/ScN Superlattice

Noor-A-Alam, M., Olszewski, O. Z. & Nolan, M., 10 May 2019, In : ACS Applied Materials & Interfaces. 11, 22, p. 20482-20490

Research output: Contribution to journalArticle

Open Access
File
2 Citations (Scopus)
1 Downloads (Pure)

Role of surface reconstruction on Cu/TiO2 nanotubes for CO2 conversion

Liu, C., Nauert, S. L., Alsina, M. A., Wang, D., Grant, A., He, K., Weitz, E., Nolan, M., Gray, K. A. & Notestein, J. M., 16 May 2019, In : APPLIED CATALYSIS B-ENVIRONMENTAL. 255

Research output: Contribution to journalArticle

Open Access
File
5 Citations (Scopus)
6 Downloads (Pure)

Ru passivated and Ru doped epsilon-TaN surfaces as a combined barrier and liner material for copper interconnects: a first principles study

Natarajan, S. K., Nies, C-L. & Nolan, M., 21 May 2019, In : Journal of Materials Chemistry C. 7, 26, p. 7959-7973

Research output: Contribution to journalArticle

Open Access
File
2 Citations (Scopus)
1 Downloads (Pure)

Structure, stability and water adsorption on ultra-thin TiO2 supported on TiN

Gutierrez Moreno, J. J., Fronzi, M., Lovera, P., O'Riordan, A., Ford, M. J., Li, W. & Nolan, M., 21 Oct 2019, In : Physical Chemistry Chemical Physics. 21, 45, p. 25344-25361

Research output: Contribution to journalArticle

1 Citation (Scopus)
2018
Open Access
File
4 Citations (Scopus)
2 Downloads (Pure)

Cu-Doped TiO2: Visible Light Assisted Photocatalytic Antimicrobial Activity

Mathew, S., Ganguly, P., Rhatigan, S., Kumaravel, V., Byrne, C., Hinder, S. J., Bartlett, J., Nolan, M. & Pillai, S. C., 26 Oct 2018, In : Applied Sciences. 8

Research output: Contribution to journalArticle

Open Access
File
36 Citations (Scopus)

First principles mechanistic study of self-limiting oxidative adsorption of remote oxygen plasma during the atomic layer deposition of alumina

Fomengia, G. N., Nolan, M. & Elliott, S. D., 17 Aug 2018, In : Physical Chemistry Chemical Physics. 20, 35, p. 22783-22795

Research output: Contribution to journalArticle

Open Access
File
7 Citations (Scopus)

Stability of Adsorbed Water on TiO2-TiN Interfaces. A First-Principles and Ab lnitio Thermodynamics Investigation

Moreno, J. J. G., Fronzi, M., Lovera, P., ORiordan, A. & Nolan, M., 12 Jul 2018, In : Journal Of Physical Chemistry C. 122, 27, p. 15395-15408

Research output: Contribution to journalArticle

7 Citations (Scopus)

Tuning transition metal carbide activity by surface metal alloying: a case study on CO2 capture and activation

Lopez, M., Broderick, L., Carey, J. J., Vines, F., Nolan, M. & Illas, F., 14 Sep 2018, In : Physical Chemistry Chemical Physics. 20, 34, p. 22179-22186

Research output: Contribution to journalArticle

4 Citations (Scopus)
2017

In Situ Investigation of Methane Dry Reforming on Metal/Ceria(111) Surfaces: Metal–Support Interactions and C−H Bond Activation at Low Temperature

Liu, Z., Lustemberg, P., Gutiérrez, R. A., Carey, J. J., Palomino, R. M., Vorokhta, M., Grinter, D. C., Ramírez, P. J., Matolín, V., Nolan, M., Ganduglia-Pirovano, M. V., Senanayake, S. D. & Rodriguez, J. A., 9 Oct 2017, In : Angewandte Chemie - International Edition. 56, 42, p. 13041-13046 6 p.

Research output: Contribution to journalArticle

53 Citations (Scopus)
2016

Design of Novel Visible Light Active Photocatalyst Materials: Surface Modified TiO2

Nolan, M., Iwaszuk, A., Lucid, A. K., Carey, J. J. & Fronzi, M., 20 Jul 2016, In : Advanced Materials. 28, 27, p. 5425-5446 22 p.

Research output: Contribution to journalArticle

86 Citations (Scopus)
2001

Basis set study for the calculation of electronic excitations using Monte Carlo configuration interaction

Larsson, J. A., Tong, L., Cheng, T., Nolan, M. & Greer, J. C., Jan 2001, In : Journal of Chemical Physics. 114, 1, p. 15-22 8 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)

Impact of electron-electron cusp on configuration interaction energies

Prendergast, D., Nolan, M., Filippi, C., Fahy, S. & Greer, J. C., 22 Jul 2001, In : Journal of Chemical Physics. 115, 4, p. 1626-1634 9 p.

Research output: Contribution to journalArticle

35 Citations (Scopus)
2000

Monte Carlo configuration generation computer program for the calculation of electronic states of atoms, molecules, and quantum dots

Tong, L., Nolan, M., Cheng, T. & Greer, J. C., 1 Sep 2000, In : Computer Physics Communications. 131, 1, p. 142-163 22 p.

Research output: Contribution to journalArticle

21 Citations (Scopus)
1999

Molecular dynamics studies of the phase transitions of homopolymers of p-hydroxybenzoic acid

Nolan, M. & Greer, J. C., 26 Aug 1999, In : Journal of Physical Chemistry A. 103, 34, p. 7111-7121 11 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)