Fine-tuned local coordination environment of Pt single atoms on ceria controls catalytic reactivity von Tan, Wei, Xie, Shaohua, Le, Duy, Diao, Weijian, Wang, Meiyu, Low, Ke-Bin, Austin, Dave, Hong, Sampyo, Gao, Fei, Dong, Lin, Ma, Lu, Ehrlich, Steven N., Rahman, Talat S., Liu, Fudong

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Physisorption of nucleobases on graphene: a comparative van der Waals study von Le, Duy, Kara, Abdelkader, Schröder, Elsebeth, Hyldgaard, Per, Rahman, Talat S

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Spin-orbit coupling in the band structure of monolayer WSe2 von Le, Duy, Barinov, Alexei, Preciado, Edwin, Isarraraz, Miguel, Tanabe, Iori, Komesu, Takashi, Troha, Conrad, Bartels, Ludwig, Rahman, Talat S, Dowben, Peter A

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Rationale for the Higher Reactivity of Interfacial Sites in Methanol Decomposition on Au13/TiO2(110) von Hong, Sampyo, Rahman, Talat S

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The Quantum Magnetism of Individual Manganese-12-Acetate Molecular Magnets Anchored at Surfaces von Kahle, Steffen, Deng, Zhitao, Malinowski, Nikola, Tonnoir, Charlène, Forment-Aliaga, Alicia, Thontasen, Nicha, Rinke, Gordon, Le, Duy, Turkowski, Volodymyr, Rahman, Talat S, Rauschenbach, Stephan, Ternes, Markus, Kern, Klaus

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Toward the Growth of an Aligned Single-Layer MoS2 Film von Kim, Daeho, Sun, Dezheng, Lu, Wenhao, Cheng, Zhihai, Zhu, Yeming, Le, Duy, Rahman, Talat S, Bartels, Ludwig

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Single-Layer MoS2 with Sulfur Vacancies: Structure and Catalytic Application von Le, Duy, Rawal, Takat B, Rahman, Talat S

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Effect of Ligands on the Geometric and Electronic Structure of Au13 Clusters von Shafai, Ghazal, Hong, Sampyo, Bertino, Massimo, Rahman, Talat S

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Molecular adsorption on graphene von Kong, Lingmei, Enders, Axel, Rahman, Talat S, Dowben, Peter A

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Nonadiabatic Exchange-Correlation Potential for Strongly Correlated Materials in the Weak and Strong Interaction Limits von Turkowski, Volodymyr, Rahman, Talat S.

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Surface Coordination Network Based on Substrate-Derived Metal Adatoms with Local Charge Excess von Pawin, Greg, Wong, Kin L, Kim, Daeho, Sun, Dezheng, Bartels, Ludwig, Hong, Sampyo, Rahman, Talat S, Carp, Robert, Marsella, Michael

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Defect engineering of oxide surfaces: dream or reality? von Pacchioni, Gianfranco, Rahman, Talat S

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Tailoring Electronic Structure Through Alloying: The AgnCu34―n (n = 0―34) Nanoparticle Family von YILDIRIM, Handan, KARA, Abdelkader, RAHMAN, Talat S

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Occupied and unoccupied electronic structure of Na doped MoS2(0001) von Komesu, Takashi, Le, Duy, Zhang, Xin, Ma, Quan, Schwier, Eike F., Kojima, Yohei, Zheng, Mingtian, Iwasawa, Hideaki, Shimada, Kenya, Taniguchi, Masaki, Bartels, Ludwig, Rahman, Talat S., Dowben, P. A.

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Time-Dependent Density-Functional Theory and Excitons in Bulk and Two-Dimensional Semiconductors von Turkowski, Volodymyr, Din, Naseem, Rahman, Talat

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A closer look at how symmetry constraints and the spin–orbit coupling shape the electronic structure of Bi(111) von Alcántara Ortigoza, Marisol, Rahman, Talat S

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Protonated Nanoparticle Surface Governing Ligand Tethering and Cellular Targeting von Vincent, Abhilash, Babu, Suresh, Heckert, Eric, Dowding, Janet, Hirst, Suzanne M, Inerbaev, Talgat M, Self, William T, Reilly, Christopher M, Masunov, Artëm E, Rahman, Talat S, Seal, Sudipta

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Ultrafast Electron Correlations and Memory Effects at Work: Femtosecond Demagnetization in Ni von Acharya, Shree Ram, Turkowski, Volodymyr, Zhang, G. P., Rahman, Talat S.

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CO-Induced Diffusion of Ni Atoms to the Surface of Ni–Au Clusters on TiO2(110) von Tenney, Samuel A, He, Wei, Roberts, Christopher C, Ratliff, Jay S, Shah, Syed Islamuddin, Shafai, Ghazal S, Turkowski, Volodymyr, Rahman, Talat S, Chen, Donna A

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Computational screening of chemically active metal center in coordinated dipyridyl tetrazine network von Din, Naseem Ud, Le, Duy, Rahman, Talat S

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