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1

Molecular Dynamics Simulations of Carbon Dioxide Intercalation in Hydrated Na-Montmorillonite

Myshakin, Evgeniy M., Saidi, Wissam A., Romanov, Vyacheslav N., Cygan, Randall T., Jordan, Kenneth D.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 2.57 MB

english, 2013

2

Oxygen Reduction Electrocatalysis Using N-Doped Graphene Quantum-Dots

Saidi, Wissam A.

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 1.28 MB

english, 2013

3

In situ atomic-scale visualization of oxide islanding during oxidation of Cu surfaces

Zhou, Guangwen, Luo, Langli, Li, Liang, Ciston, Jim, Stach, Eric A., Saidi, Wissam A., Yang, Judith C.

Journal:

Chemical Communications

Year:

2013

Language:

english

File:

PDF, 1.73 MB

english, 2013

4

Step-Induced Oxygen Upward Diffusion on Stepped Cu(100) Surface

Zhu, Qing, Saidi, Wissam A., Yang, Judith C.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 8.76 MB

english, 2015

5

Structure of Defects on Anatase TiO2(001) Surface

shi, yongliang, Sun, Huijuan, Nguyen, Manh Cuong, Wang, Cai Zhuang, Ho, Kai Ming, Saidi, Wissam A, Zhao, Jin

Journal:

Year:

2017

Language:

english

File:

PDF, 3.68 MB

english, 2017

6

Hydrogen-induced atomic structure evolution of the oxygen-chemisorbed Cu(110) surface

Shan, Weitao, Liu, Qianqian, Li, Jonathan, Cai, Na, Saidi, Wissam A., Zhou, Guangwen

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 25.44 MB

english, 2016

7

Superatom Molecular Orbital as an Interfacial Charge Separation State

Guo, Hongli, Zhao, Chuanyu, Zheng, Qijing, Lan, Zhenggang, Prezhdo, Oleg V., Saidi, Wissam A., Zhao, Jin

Journal:

The Journal of Physical Chemistry Letters

Year:

2018

Language:

english

File:

PDF, 911 KB

english, 2018

8

Evaluating the Accuracy of Common γ-Al2O3 Structure Models by Selected Area Electron Diffraction from High-Quality Crystalline γ-Al2O3

Ayoola, Henry O., House, Stephen D., Bonifacio, Cecile S., Kisslinger, Kim, Saidi, Wissam A., Yang, Judith C.

Journal:

Acta Materialia

Year:

2019

Language:

english

File:

PDF, 1.03 MB

english, 2019

9

Association of Angiotensin I Converting Enzyme Insertion/287âbp Deletion Polymorphisms and Proliferative Prostatic Diseases among Lebanese Men

El Ezzi, Asmahan A., Clawson, Jordan M., El-Saidi, Mohammed A., Zaidan, Wissam R., Kovash, Abigail, Orellana, Jeremy, Thornock, AnnaKarina, Kuddus, Ruhul H.

Journal:

Prostate Cancer

Year:

2020

Language:

english

File:

PDF, 1.17 MB

english, 2020

10

Long-Lived Hot Electron in a Metallic Particle for Plasmonics and Catalysis: Ab Initio Nonadiabatic Molecular Dynamics with Machine Learning

Chu, Weibin, Saidi, Wissam A., Prezhdo, Oleg V.

Journal:

Year:

2020

File:

PDF, 854 KB

2020

11

In Situ Oxidation Studies of High-Entropy Alloy Nanoparticles

Song, Boao, Yang, Yong, Rabbani, Muztoba, Yang, Timothy T., He, Kun, Hu, Xiaobing, Yuan, Yifei, Ghildiyal, Pankaj, Dravid, Vinayak P., Zachariah, Michael R., Saidi, Wissam A., Liu, Yuzi, Shahbazian-Ya

Journal:

Year:

2020

File:

PDF, 13.71 MB

2020

12

Quantum simulations of realistic systems by auxiliary fields

Shiwei Zhang, Henry Krakauer, Wissam A. Al-Saidi, Malliga Suewattana

Journal:

Computer Physics Communications

Year:

2005

Language:

english

File:

PDF, 136 KB

english, 2005

13

Binding of Polyvinylpyrrolidone to Ag Surfaces: Insight into a Structure-Directing Agent from Dispersion-Corrected Density Functional Theory

Saidi, Wissam A., Feng, Haijun, Fichthorn, Kristen A.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 2.71 MB

english, 2013

14

Is there a Difference in Van Der Waals Interactions between Rare Gas Atoms Adsorbed on Metallic and Semiconducting Single-Walled Carbon Nanotubes?

Chen, De-Li, Mandeltort, Lynn, Saidi, Wissam A., Yates, John T., Cole, Milton W., Johnson, J. Karl

Journal:

Physical Review Letters

Year:

2013

Language:

english

File:

PDF, 689 KB

english, 2013

15

Functionalization of Single-Wall Zigzag Carbon Nanotubes by Carboxyl Groups: Clustering Effect

Saidi, Wissam A.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 346 KB

english, 2013

16

Comparison of the Binding of Polyvinylpyrrolidone and Polyethylene Oxide to Ag Surfaces: Elements of a Successful Structure-Directing Agent

Zhou, Ya, Saidi, Wissam A., Fichthorn, Kristen A.

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 1.21 MB

english, 2013

17

Experimental and Theoretical Comparison of Gas Desorption Energies on Metallic and Semiconducting Single-Walled Carbon Nanotubes

Mandeltort, Lynn, Chen, De-Li, Saidi, Wissam A., Johnson, J. Karl, Cole, Milton W., Yates, John T.

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 512 KB

english, 2013

18

Enzyme-Catalyzed Oxidation Facilitates the Return of Fluorescence for Single-Walled Carbon Nanotubes

Chiu, Cheuk Fai, Barth, Brian A., Kotchey, Gregg P., Zhao, Yong, Gogick, Kristy A., Saidi, Wissam A., Petoud, Stéphane, Star, Alexander

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 1.34 MB

english, 2013

19

Deliquescence of NaBH 4 from Density Functional Theory and Experiments

Li, Ping, Yu, Lin, Matthews, Michael A., Saidi, Wissam A., Johnson, J. Karl

Journal:

Industrial & Engineering Chemistry Research

Year:

2013

Language:

english

File:

PDF, 1.75 MB

english, 2013

20

Correcting density functionals for dispersion interactions using pseudopotentials

Karalti, Ozan, Su, Xiaoge, Al-Saidi, Wissam A., Jordan, Kenneth D.

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 634 KB

english, 2014

21

Effects of Topological Defects and Diatom Vacancies on Characteristic Vibration Modes and Raman Intensities of Zigzag Single-Walled Carbon Nanotubes

Saidi, Wissam A.

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 3.08 MB

english, 2014

22

A Force Field for Describing the Polyvinylpyrrolidone-Mediated Solution-Phase Synthesis of Shape-Selective Ag Nanoparticles

Zhou, Ya, Saidi, Wissam A., Fichthorn, Kristen A.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 428 KB

english, 2014

23

CO2 adsorption on TiO2(110) rutile: Insight from dispersion-corrected density functional theory calculations and scanning tunneling microscopy experiments

Sorescu, Dan C., Lee, Junseok, Al-Saidi, Wissam A., Jordan, Kenneth D.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 919 KB

english, 2011

24

Coadsorption properties of CO2 and H2O on TiO2 rutile (110): A dispersion-corrected DFT study

Sorescu, Dan C., Lee, Junseok, Al-Saidi, Wissam A., Jordan, Kenneth D.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 3.41 MB

english, 2012

25

Oxygen chemisorption-induced surface phase transitions on Cu(110)

Liu, Qianqian, Li, Liang, Cai, Na, Saidi, Wissam A., Zhou, Guangwen

Journal:

Surface Science

Year:

2014

Language:

english

File:

PDF, 2.94 MB

english, 2014

26

TFOx: A versatile kinetic Monte Carlo program for simulations of island growth in three dimensions

Zhu, Qing, Fleck, Chris, Saidi, Wissam A., McGaughey, Alan, Yang, Judith C.

Journal:

Computational Materials Science

Year:

2014

Language:

english

File:

PDF, 2.52 MB

english, 2014

27

Probing single-walled carbon nanotube defect chemistry using resonance Raman spectroscopy

Saidi, Wissam A., Norman, Patrick

Journal:

Year:

2014

Language:

english

File:

PDF, 1.99 MB

english, 2014

28

Insight into the Mechanism of Graphene Oxide Degradation via the Photo-Fenton Reaction

Bai, Hao, Jiang, Wentao, Kotchey, Gregg P., Saidi, Wissam A., Bythell, Benjamin J., Jarvis, Jacqueline M., Marshall, Alan G., Robinson, Renã A. S., Star, Alexander

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 2.46 MB

english, 2014

29

Surface-Step-Induced Oscillatory Oxide Growth

Li, Liang, Luo, Langli, Ciston, Jim, Saidi, Wissam A., Stach, Eric A., Yang, Judith C., Zhou, Guangwen

Journal:

Physical Review Letters

Year:

2014

Language:

english

File:

PDF, 2.36 MB

english, 2014

30

Kinetic Barriers of the Phase Transition in the Oxygen Chemisorbed Cu(110)-(2 × 1)-O as a Function of Oxygen Coverage

Li, Liang, Liu, Qianqian, Li, Jonathan, Saidi, Wissam A., Zhou, Guangwen

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 4.76 MB

english, 2014

31

Van der Waals Epitaxial Growth of Transition Metal Dichalcogenides on Pristine and N-Doped Graphene

Saidi, Wissam A.

Journal:

Crystal Growth & Design

Year:

2014

Language:

english

File:

PDF, 1.90 MB

english, 2014

32

Understanding Structure and Bonding of Multilayered Metal–Organic Nanostructures

Egger, David A., Ruiz, Victor G., Saidi, Wissam A., Bučko, Tomáš, Tkatchenko, Alexandre, Zojer, Egbert

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 4.56 MB

english, 2013

33

Role of oxygen in Cu(110) surface restructuring in the vicinity of step edges

Li, Liang, Cai, Na, Saidi, Wissam A., Zhou, Guangwen

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 1.66 MB

english, 2014

34

The Effect of Metal Catalyst on the Electrocatalytic Activity of Nitrogen-Doped Carbon Nanotubes

Tang, Yifan, Burkert, Seth C., Zhao, Yong, Saidi, Wissam A., Star, Alexander

Journal:

The Journal of Physical Chemistry C

Year:

2013

Language:

english

File:

PDF, 3.58 MB

english, 2013

35

Coexisting Surface Phases and Coherent One-Dimensional Interfaces on BaTiO 3 (001)

Morales, Erie H., Martirez, John Mark P., Saidi, Wissam A., Rappe, Andrew M., Bonnell, Dawn A.

Journal:

Year:

2014

Language:

english

File:

PDF, 2.73 MB

english, 2014

36

Strong Reciprocal Interaction between Polarization and Surface Stoichiometry in Oxide Ferroelectrics

Saidi, Wissam A., Martirez, John Mark P., Rappe, Andrew M.

Journal:

Year:

2014

Language:

english

File:

PDF, 1.83 MB

english, 2014

37

Influence of strain and metal thickness on metal-MoS2 contacts

Saidi, Wissam A.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 868 KB

english, 2014

38

Surface Reconstruction

Martirez, John Mark P., Morales, Erie H., Saidi, Wissam A., Bonnell, Dawn A., Rappe, Andrew M.

Journal:

Physical Review Letters

Year:

2012

Language:

english

File:

PDF, 1.37 MB

english, 2012

39

Origins of thermal conductivity changes in strained crystals

Parrish, Kevin D., Jain, Ankit, Larkin, Jason M., Saidi, Wissam A., McGaughey, Alan J. H.

Journal:

Physical Review B

Year:

2014

Language:

english

File:

PDF, 1.28 MB

english, 2014

40

CO2 adsorption on TiO2(101) anatase: A dispersion-corrected density functional theory study

Sorescu, Dan C., Al-Saidi, Wissam A., Jordan, Kenneth D.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 4.09 MB

english, 2011

41

Ab initio atomistic thermodynamics study of the early stages of Cu(100) oxidation

Saidi, Wissam A., Lee, Minyoung, Li, Liang, Zhou, Guangwen, McGaughey, Alan J. H.

Journal:

Physical Review B

Year:

2012

Language:

english

File:

PDF, 2.24 MB

english, 2012

42

Density Functional Theory Study of Nucleation and Growth of Pt Nanoparticles on MoS 2 (001) Surface

Saidi, Wissam A.

Journal:

Crystal Growth & Design

Year:

2015

Language:

english

File:

PDF, 4.92 MB

english, 2015

43

Non-additivity of polarizabilities and van der Waals C6 coefficients of fullerenes

Kauczor, Joanna, Norman, Patrick, Saidi, Wissam A.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 757 KB

english, 2013

44

Trends in the Adsorption and Growth Morphology of Metals on the MoS 2 (001) Surface

Saidi, Wissam A.

Journal:

Crystal Growth & Design

Year:

2015

Language:

english

File:

PDF, 3.16 MB

english, 2015

45

Temperature dependent energy levels of methylammonium lead iodide perovskite

Foley, Benjamin J., Marlowe, Daniel L., Sun, Keye, Saidi, Wissam A., Scudiero, Louis, Gupta, Mool C., Choi, Joshua J.

Journal:

Applied Physics Letters

Year:

2015

Language:

english

File:

PDF, 1.28 MB

english, 2015

46

Synthesis of {111}-Faceted Au Nanocrystals Mediated by Polyvinylpyrrolidone: Insights from Density-Functional Theory and Molecular Dynamics

Liu, Shih-Hsien, Saidi, Wissam A., Zhou, Ya, Fichthorn, Kristen A.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 5.23 MB

english, 2015

47

Nano-scale Polar-Nonpolar Oxide Heterostructures for Photocatalysis

Guo, Hongli, Saidi, Wissam A, Yang, Jinlong, Zhao, Jin

Journal:

Year:

2016

Language:

english

File:

PDF, 1.13 MB

english, 2016

48

Early and transient stages of Cu oxidation: Atomistic insights from theoretical simulations and in situ experiments

Zhu, Qing, Zou, Lianfeng, Zhou, Guangwen, Saidi, Wissam A., Yang, Judith C.

Journal:

Surface Science

Year:

2016

Language:

english

File:

PDF, 2.86 MB

english, 2016

49

Surface-Enhanced Raman Scattering Due to Charge-Transfer Resonances: A Time-Dependent Density Functional Theory Study of Ag 13 -4-Mercaptopyridine

Birke, Ronald L., Lombardi, John R., Saidi, Wissam A., Norman, Patrick

Journal:

The Journal of Physical Chemistry C

Year:

2016

Language:

english

File:

PDF, 1.88 MB

english, 2016

50

Step-Edge Directed Metal Oxidation

Zhu, Qing, Saidi, Wissam A., Yang, Judith C

Journal:

The Journal of Physical Chemistry Letters

Year:

2016

Language:

english

File:

PDF, 1.49 MB

english, 2016