May 4, 2021
Controlling Metal-Organic Framework/ZnO Heterostructure Kinetics through Selective Ligand Binding to ZnO Surface Steps
J. H. Tao, M. S. Lee, M. L. Sushko, J. J. De Yoreo, J. Liu, Z. S. Zhang, D. Banerjee, S. Akkineni,...
May 4, 2021
Electronic Structure Engineering Achieved via Organic Ligands in Silicon Nanocrystals
K. Dohnalova, P. Hapala, K. Kusova, and I. Infante
May 4, 2021
Formation of Color Centers in Lead Iodide Perovskites: Self-Trapping and Defects in the Bulk and Surfaces
F. Ambrosio, E. Mosconi, A. A. Alasmari, F. A. S. Alasmary, D. Meggiolaro, and F. De Angelis
May 4, 2021
Structure of Metal-Organic Framework Glasses by Ab Initio Molecular Dynamics
R. Gaillac, P. Pullumbi, T. D. Bennett, and F. X. Coudert
May 4, 2021
Small Electron Polarons in CsPbBr3: Competition between Electron Localization and Delocalization
N. Osterbacka, P. Erhart, S. Falletta, A. Pasquarello, and J. Wiktor
May 4, 2021
Why do RuO(2)electrodes catalyze electrochemical CO(2)reduction to methanol rather than methane or perhaps neither of those?
E. Tayyebi, J. Hussain, and E. Skulason
May 4, 2021
In situ synthesis of sustainable highly efficient single iron atoms anchored on nitrogen doped carbon derived from renewable biomass
X. L. Wang, J. Du, Q. H. Zhang, L. Gu, L. J. Cao,and H. P. Liang
May 4, 2021
Quantitative Prediction of Aggregation-Induced Emission: A Full Quantum Mechanical Approach to the Optical Spectra
W. Zhang, J. F. Liu, X. S. Jin, X. G. Gu, X. C. Zeng, X. He, and H. Li
May 4, 2021
The Mechanism of the Magnetodielectric Response in a Molecule-Based Trinuclear Iron Cluster Material
D. Li, X. Wang, H. X. Zhao, Y. P. Ren, G. L. Zhuang, L. S. Long, L. S. Zheng
May 4, 2021
Tuning Spin Current Injection at Ferromagnet-Nonmagnet Interfaces by Molecular Design
A. Wittmann, G. Schweicher, K. Broch, J. Novak, V. Lami, D. Cornil, E. R. McNellis, O. Zadvorna, D...
May 4, 2021
Two-Dimensional Antimony Oxide
S. Wolff, R. Gillen, M. Assebban, G. Abellan, and J. Maultzsch
May 4, 2021
Uncovering the Triplet Ground State of Triangular Graphene Nanoflakes Engineered with Atomic Precision on a Metal Surface
J. C. Li, S. Sanz, J. Castro-Esteban, M. Vilas-Varela, N. Friedrich, T. Frederiksen, D. Pena, and J...
May 4, 2021
Emergence of Topologically Nontrivial Spin-Polarized States in a Segmented Linear Chain
T. Pham, S. Oh, S. Stonemeyer, B. Shevitski, J. D. Cain, C. Y. Song, P. Ercius, M. L. Cohen, and A...
May 4, 2021
Possible Luttinger liquid behavior of edge transport in monolayer transition metal dichalcogenide crystals
G. H. Yang, Y. Shao, J. B. Niu, X. L. Ma, C. Y. Lu, W. Wei, X. C. Chuai, J. W. Wang, J. C. Cao, H...
May 4, 2021
Vibron-assisted spin excitation in a magnetically anisotropic molecule
N. Bachellier, B. Verlhac, L. Garnier, J. Zaldivar, C. Rubio-Verdu,P. Abufager, M. Ormaza, D. J...
May 4, 2021
Machine learning accurate exchange and correlation functionals of the electronic density
S. Dick and M. Fernandez-Serra
May 4, 2021
Rectifying behavior in twisted bilayer black phosphorus nanojunctions mediated through intrinsic anisotropy
V. Shukla, A. Grigoriev, and R. Ahuja
May 4, 2021
Edge induced band bending in van der Waals heterojunctions: A first principle study
Y. Ou, Z. Kang,Q. L. Liao, Z. Zhang, and Y. Zhang
May 4, 2021
Chevron-type graphene nanoribbons with a reduced energy band gap: Solution synthesis, scanning tunneling microscopy and electrical characterization
X. M. Liu, G. Li, A. Lipatov, T. Sun, M. M. Pour, N. R. Aluru, J. W. Lyding, and A. Sinitskii
May 4, 2021
Embedding Methods for Quantum Chemistry: Applications from Materials to Life Sciences
L. O. Jones, M. A. Mosquera, G. C. Schatz, and M. A. Ratner
May 4, 2021
Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages
Y. P. Fu, X. Y. Jiang, X. T. Li, B. Traore, I. Spanopoulos, C. Katan, J. Even, M. G. Kanatzidis,...
May 4, 2021
Three-Dimensional Lead Iodide Perovskitoid Hybrids with High X-ray Photoresponse
X. T. Li, Y. H. He, M. Kepenekian, P. J. Guo, W. J. Ke, J. Even, C. Katan, C. C. Stoumpos, R. D...