Cs2Hg3S4: A Low-Dimensional Direct Bandgap Semiconductor

Chemistry of Materials

DOI: 10.1021/cm504089r

Saiful M. Islam, S. Vanishri, Hao Li, Constantinos C. Stoumpos, John. A. Peters, Maria Sebastian, Zhifu Liu, Shichao Wang, Alyssa S. Haynes, Jino Im, Arthur J. Freeman, Bruce Wessels and Mercouri G. Kanatzidis

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Dehydrogenation of Propane to Propylene by a Pd/Cu Single-Atom Catalyst: Insight from First-Principles Calculations

The Journal of Physical Chemistry C

DOI: 10.1021/jp508625b

Xinrui Cao, Yongfei Ji and Yi Luo

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The Key Role of van der Waals Interactions in MPc/Au(111) (M = Co, Fe, H2) Systems Based on First-Principles Calculations

The Journal of Physical Chemistry C

DOI: 10.1021/jp5074768

Shaoyuan Li, Jialei Hao, Feifei Li, Ziping Niu, Zhenpeng Hu and Lixin Zhang

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Ab Initio Calculations of Band Gaps and Absolute Band Positions of Polymorphs of RbPbI3 and CsPbI3: Implications for Main-Group Halide Perovskite Photovoltaics

The Journal of Physical Chemistry C

DOI: 10.1021/jp508880y

Jakoah Brgoch, Anna J. Lehner, Michael Chabinyc and Ram Seshadri

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Surface Segregation and Chemical Ordering Patterns of Ag–Pd Nanoalloys: Energetic Factors, Nanoscale Effects, and Catalytic Implication

The Journal of Physical Chemistry C

DOI: 10.1021/jp507710k

Jianfeng Tang, Lei Deng, Huiqiu Deng, Shifang Xiao, Xingming Zhang and Wangyu Hu

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Study of the Structural Characteristics of 3d Metals Cr, Mn, Fe, Co, Ni, and Cu Implanted in ZnO and TiO2Experiment and Theory

The Journal of Physical Chemistry C

DOI: 10.1021/jp509761c

B. Leedahl, D. A. Zatsepin, D. W. Boukhvalov, E. Z. Kurmaev, R. J. Green, I. S. Zhidkov, S. S. Kim, L. Cui, N. V. Gavrilov, S. O. Cholakh and A. Moewes

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Microscopic Structure of Naked Au Nanoparticles Synthesized in Typical Ionic Liquids by Sputter Deposition

The Journal of Physical Chemistry C

DOI: 10.1021/jp5094492

Yoshikiyo Hatakeyama, Kiyotaka Asakura, Satoshi Takahashi, Ken Judai and Keiko Nishikawa

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Geometric and Electronic Structures of Two-Dimensional SiC3 Compound

The Journal of Physical Chemistry C

DOI: 10.1021/jp412633y

Yi Ding and Yanli Wang

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Strained Ionic Interfaces: Effect on Oxygen Diffusivity from Atomistic Simulations

The Journal of Physical Chemistry C

DOI: 10.1021/jp411277q

Dilpuneet S. Aidhy, Yanwen Zhang and William J. Weber

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