Electronic Structure and Stability of Semiconducting Graphene Nanoribbons von Barone, Verónica, Hod, Oded, Scuseria, Gustavo E

Volltext

Enhanced Half-Metallicity in Edge-Oxidized Zigzag Graphene Nanoribbons von Hod, Oded, Barone, Verónica, Peralta, Juan E, Scuseria, Gustavo E

Volltext

Half-metallic graphene nanodots: A comprehensive first-principles theoretical study von Hod, Oded, Barone, Verónica, Scuseria, Gustavo E.

Volltext

Accurate solid-state band gaps via screened hybrid electronic structure calculations von Brothers, Edward N, Izmaylov, Artur F, Normand, Jacques O, Barone, Verónica, Scuseria, Gustavo E

Volltext

Edge Effects on the Characteristics of Li Diffusion in Graphene von Uthaisar, Chananate, Barone, Veronica

Volltext

Density Functional Theory Study of Optical Transitions in Semiconducting Single-Walled Carbon Nanotubes von Barone, Verónica, Peralta, Juan E, Wert, Michael, Heyd, Jochen, Scuseria, Gustavo E

Volltext

Screened exchange hybrid density-functional study of the work function of pristine and doped single-walled carbon nanotubes von Barone, Verónica, Peralta, Juan E, Uddin, Jamal, Scuseria, Gustavo E

Volltext

DFT Calculation of NMR JFF Spin−Spin Coupling Constants in Fluorinated Pyridines von BARONE, Verónica, PERALTA, Juan E., CONTRERAS, Rubén H., SNYDER, James P.

Volltext

Machine Learning the Voltage of Electrode Materials in Metal-Ion Batteries von Joshi, Rajendra P, Eickholt, Jesse, Li, Liling, Fornari, Marco, Barone, Veronica, Peralta, Juan E

Volltext

Theoretical study of the electronic properties of narrow single-walled carbon nanotubes: beyond the local density approximation von Barone, Verónica, Scuseria, Gustavo E

Volltext

Enhanced Electrochemical Lithium Storage by Graphene Nanoribbons von Bhardwaj, Tarun, Antic, Aleks, Pavan, Barbara, Barone, Veronica, Fahlman, Bradley D

Volltext

Lithium adsorption on zigzag graphene nanoribbons von Uthaisar, Chananate, Barone, Veronica, Peralta, Juan E.

Volltext

Effect of oxygen chemisorption on the energy band gap of a chiral semiconducting single-walled carbon nanotube von Barone, Verónica, Heyd, Jochen, Scuseria, Gustavo E.

Volltext

Theoretical Nitrogen NMR Chemical Shifts in Octahedral Boron Nitride Cages von Barone, Verónica, Koller, Andrew, Scuseria, Gustavo E

Volltext

Scalable Holey Graphene Synthesis and Dense Electrode Fabrication toward High-Performance Ultracapacitors von Han, Xiaogang, Funk, Michael R, Shen, Fei, Chen, Yu-Chen, Li, Yuanyuan, Campbell, Caroline J, Dai, Jiaqi, Yang, Xiaofeng, Kim, Jae-Woo, Liao, Yunlong, Connell, John W, Barone, Veronica, Chen, Zhongfang, Lin, Yi, Hu, Liangbing

Volltext

Computational Study of Ortho -Substituent Effects on Antioxidant Activities of Phenolic Dendritic Antioxidants von Lee, Choon Young, Sharma, Ajit, Semenya, Julius, Anamoah, Charles, Chapman, Kelli N, Barone, Veronica

Volltext

Tunable Broadband Nanocarbon Transparent Conductor by Electrochemical Intercalation von Wan, Jiayu, Xu, Yue, Ozdemir, Burak, Xu, Lisha, Sushkov, Andrei B, Yang, Zhi, Yang, Bao, Drew, Dennis, Barone, Veronica, Hu, Liangbing

Volltext

Lithium Adsorption on Graphene: From Isolated Adatoms to Metallic Sheets von Garay-Tapia, A. M, Romero, Aldo H, Barone, Veronica

Volltext

Thickness dependence of solar cell efficiency in transition metal dichalcogenides MX2 (M: Mo, W; X: S, Se, Te) von Ozdemir, Burak, Barone, Veronica

Volltext

Computational design of single-atom catalysts embedded on reduced graphitic carbon nitride monolayers von Jakhar, Mukesh, Ding, Yi, Fahlman, Bradley D, Barone, Veronica

Volltext