2017

Excitation-Wavelength-Dependent Small Polaron Trapping of Photoexcited Carriers in α-Fe2O3

L. M. Carneiro, S. K. Cushing, C. Liu, Y. Su, P. Yang, A. P. Alivisatos & S. R. Leone. Nature Mater., 2017, 16. DOI: 10.1038/nmat4936


Fabrication of Subnanometer-Precision Nanopores in Hexagonal Boron Nitride

Gilbert, Dunn, Azizi, Pham, Shevitski, et al., Nature Scientific Reports 7, 15096, 2017, 


Origins of Singlet Fission in Solid Pentacene from an ab initio Green’s Function Approach

S. Refaely-Abramson, F. H. da Jornada, S. G. Louie & J. B. Neaton. Phys. Rev. Lett., 2017, 119(26). DOI: 10.1103/PhysRevLett.119.267401


Reticular Electronic Tuning of Porphyrin Active Sites in Covalent Organic Frameworks for Electrocatalytic Carbon Dioxide Reduction

C. S. Diercks, S. Lin, N. Kornienko, E. A. Kapustin, E. M. Nichols, C. Zhu, Y. Zhao, C. J. Chang & O. M. Yaghi. J. Am. Chem. Soc., 2018, 140(3). DOI: 10.1021/jacs.7b11940


Local Electronic Structure of a Single-Layer Porphyrin-Containing Covalent Organic Framework

C. Chen, T. Joshi, H. Li, A. D. Chavez, Z. Pedramrazi, P-N. Liu, H. Li, W. R. Dichtel, J-L. Bredas & M. F. Crommie. ACS Nano, 2018, 12(1). DOI: 10.1021/acsnano.7b06529


Orbitally Matched Edge-Doping in Graphene Nanoribbons

R. Durr, D. Haberer, Y-L. Lee, R. Blackwell, A. Kalayjian, T. Marangoni, J. Ihm, S. Louie & F. R. Fischer. J. Am. Chem. Soc., 2018, 140(2). DOI: 10.1021/jacs.7b11886


Prediction of TiRhAs as a Dirac Nodal Line Semimetal via First-Principles Calculations

S. F. Weber, R. Chen, Q. Yan & J. B. Neaton. Phys. Rev. B, 2017, 96(23). DOI: 10.1103/PhysRevB.96.235145


Inserting Porphyrin Quantum Dots in Bottom-Up Synthesized Graphene Nanoribbons

W. Perkins & F. R. Fischer. Chem. Eur. J.2017, 23(70). DOI: 10.1002/chem.201705252


Tunable Excitons in Bilayer Graphene

L. Ju, L. Wang, T. Cao, T. Taniguchi, K. Watanabe, S. G. Louie, F. Rana, J. Park, J. Hone, F. Wang & P. L. McEuen. Science2017, 358(6365). DOI: 10.1126/science.aam9175


Dendrimer-Stabilized Metal Nanoparticles as Efficient Catalysts for Reversible Dehydrogenation/Hydrogenation of N-Heterocycles

C. Deraedt, R. Ye, W. T. Ralston, F. D. Toste & G. A. Somorjai. J. Am. Chem. Soc., 2017, 139(49). DOI: 10.1021/jacs.7b10768


Discovery and Characterization of a Pourbaix-Stable, 1.8 eV Direct Gap Bismuth Manganate Photoanode

P. Newhouse, S. Reyes-Lillo, G. Li, L. Zhou, A. Shinde, D. Guevarra, S. Suram, E. Soedarmadji, M. Richter, X. Qu, K. Persson, J. B. Neaton & J. M. Gregoire. Chem. Mater., 2017, 29(23). DOI: 10.1021/acs.chemmater.7b03591


Bandgap Engineering in Semiconductor Alloy Nanomaterials with Widely Tunable Compositions

C. Ning, L. Dou & P. Yang. Nat. Rev. Mats., 2017, 2. DOI: 10.1038/natrevmats.2017.70


Snapshot Transient Absorption Spectroscopy of Carotenoid Radical Cations in High-Light-Acclimating Thylakoid Membranes

S. Park, A. L. Fischer, Z. Li, R. Bassi, K. K. Niyogi, G. R. Fleming, J. Phys. Chem. Lett. 8, 5548-5554, 2017.


A Reversible Single-Molecule Switch Based on Activated Antiaromaticity

X. Yin, Y. Zang, L. Zhu, J. Z. Low, Z. Liu, J. Cui, J. B. Neaton, L. Venkataraman & L. M. Campos. Sci. Adv., 2017, 3(10). DOI: 10/1126/sciadv.aao2615


Cluster Decomposition of Full Configuration Interaction Wave Functions: A Tool for Chemical Interpretation of Systems with Strong Correlation

Lehtola S, Tubman NM, Whaley KB, Head-Gordon M. Cluster decomposition of full configuration interaction wave functions: A tool for chemical interpretation of systems with strong correlation. J Chem Phys. 2017 Oct 21;147(15):154105.


Ultraslow Waves on the Nanoscale

K. L. Tsakmakidis, O. Hess, R. W. Boyd & X. Zhang. Science2017, 358(6361). DOI: 10.1126/science.aan5196

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