Publications

Y. Liu, J. Wu, K. P. Hackenberg, J. Zhang, Y. M. Wang, Y. Yang, K. Keyshar, J. Gu, T. Ogitsu, R. Vajtai, J. Lou, P. M. Ajayan, B. C. Wood, B. I. Yakobson

“Self-optimizing layered hydrogen evolution catalyst with high basal-plane activity”

Nature Energy, 2017, 6, 17127

Accompanying "News and Views":

 Danielle N. Chirdon & Yiying Wu

"Hydrogen evolution: Not living on the edge"


Y. Liu,* B. Merinov, W. A. Goddard III*

“Origin of low sodium capacity in graphite and generally weak substrate binding of Na and Mg among alkali and alkaline earth metals”

PNAS 2016, 113, 3735


Y. Liu,* H. Xiao, W. A. Goddard III*

“Schottky-barrier-free contacts with two-dimensional semiconductors by surface-engineered MXenes”

J. Am. Chem. Soc., 2016, 138, 15853


Y. Liu,* H. Xiao, W. A. Goddard III*

“Two-dimensional Halide Perovskites: Tuning Electronic Activities of Defects”

Nano Lett. 2016, 16, 3335


Y. Liu,* P. Stradins, S. Wei*

“Van der Waals metal-semiconductor junction: weak Fermi level pinning enables effective tuning of Schottky barrier”

Science Advances 2016, 2, e1600069


Y. Liu,* P. Stradins, S. Wei*

“Air Passivation of Chalcogen Vacancies in Two-Dimensional Semiconductors”

Angew. Chem. Int. Edit. 2015, DOI: 10.1002/anie.201508828


Y. Liu,* P. Stradins,* H. Deng, J. Luo, S. Wei*

“Suppress carrier recombination by introducing defects: The case of Si solar cell”

Appl. Phys. Lett. 2016, DOI: 10.1063/1.49396284939628 (selected by APL as one of the most read articles in 2016)


Y. Liu, F. Xu, Z. Zhang, E. S. Penev, B. I. Yakobson

“Two-Dimensional Mono-Elemental Semiconductor with Electronically Inactive Defects: The Case of Phosphorus”

Nano Lett. 2014, 14, 6782 (cover article)


Y. Liu, Y. M. Wang, B. I. Yakobson, B. C. Wood

"Assessing carbon-based anodes for lithium-ion batteries: A universal description of charge-transfer binding"

Phys. Rev. Lett. 2014, 113, 028304


Y. Liu, E. S. Penev, B. I. Yakobson

“Probing the Synthesis of Two-dimensional Boron by First-principles Computations”

Angew. Chem. Int. Edit. 2013, 52, 3156


Y. Liu, V. I. Artyukhov, M. Liu, A. R. Harutyunyan, B. I. Yakobson

“Feasibility of Lithium Storage on Graphene and Its Derivatives”

J. Phys. Chem. Lett. 2013, 4, 1737


Y. Liu, X. Zou, B. I. Yakobson

“Dislocations and Grain Boundaries in Two-Dimensional Boron Nitride”

ACS Nano 2012, 6, 7053


Y. Liu, S. Bhowmick, B. I. Yakobson

“BN White Graphene with “Colorful” Edges: The Energies and Morphology”

Nano Lett. 2011, 11, 3113


Y. Liu, A. Dobrinsky, B. I. Yakobson

“Graphene Edge from Armchair to Zigzag: The Origins of Nanotube Chirality”

Phys. Rev. Lett. 2010, 105, 235502


Y. Liu, B. I. Yakobson

“Cones, Pringles, and Grain Boundary Landscapes in Graphene Topology”

Nano Lett. 2010, 10, 2178


H. Xiao, W. A. Goddard III, T. Cheng, Y. Liu 

“Cu metal embedded in oxidized matrix catalyst to promote CO2 activation and CO dimerization for electrochemical reduction of CO2”

PNAS 2017, 114, 6685


H. Zhou, F. Yu, Y. Liu, J. Sun, Z. Zhu, R. He, J. Bao, W. A. Goddard III, S. Chen, Z. Ren

“Outstanding hydrogen evolution reaction catalyzed by porous nickel diselenide electrocatalysts”

Energy Environ. Sci., 2017, 10, 1487-1492


X. Fan, Y. Liu, Z. Peng, Z. Zhang, H. Zhou, X. Zhang, B. I. Yakobson, W. A. Goddard, X. Guo, R. H. Hauge, J. M. Tour

“Atomic H-Induced Mo2C Hybrid as an Active and Stable Bifunctional Electrocatalyst”

ACS Nano, 2017, 11, pp 384–394


I. H. Abidi, Y. Liu, J. Pan, A. Tyagi, M. Zhuang, Q. Zhang, A. A. Cagang, L. Weng, P. Sheng, W. A. Goddard III, Z. Luo

“Regulating Top-Surface Multilayer/Single-Crystal Graphene Growth by “Gettering” Carbon Diffusion at Backside of the Copper Foil”

Adv. Funct. Mater. 2017, 27, 1700121


R. Ye, Y. Liu, Z. Peng, T. Wang, A. S. Jalilov, B. I. Yakobson, S. Wei, James M. Tour

“High Performance Electrocatalytic Reaction of Hydrogen and Oxygen on Ruthenium Nanoclusters”

ACS Appl. Mater. Interfaces, 2017, 9, 3785


Y. Hao, L. Wang, Y. Liu, H. Chen, X. Wang, C. Tan, S. Nie, J. W. Suk, T. Jiang, T. Liang, J. Xiao, W. Ye, C. R. Dean, B. I. Yakobson, K. F. McCarty, P. Kim, J. Hone, L. Colombo, R. S. Ruoff

“Oxygen-activated growth and bandgap tunability of large single-crystal bilayer graphene”

Nature Nanotechnology 2016, 11, 426 (cover article)


W. Wu, L. Wang, R. Yu, Y. Liu, S. Wei, J. Hone, Z. L. Wang

“Piezophototronic Effect in Single-Atomic-Layer MoS2 for Strain-Gated Flexible Optoelectronics”

Advanced Materials 2016, 28, 8463


Z. Zhang, Y. Liu, Y. Yang, B. I. Yakobson

“Growth Mechanism and Morphology of Hexagonal Boron Nitride”

 Nano Lett. 2016, 16, 1398


J. Ye, Y. An, E. Montalvo, P. G. Campbell, M. A. Worsley, I. C. Tran, Y. Liu, B. C. Wood, J. Biener, H. Jiang, M. Tang, Y. M. Wang

“Solvent-directed sol-gel assembly of 3-dimensional graphene-tented metal oxides and strong synergistic disparities in lithium storage”

J. Mater. Chem. A, 2016, 4, 4032


R. Ye, P. D. A. Vicente, Y. Liu, J. Arellano-Jimenez, Z. Peng, T. Wang, Y. Li, B. I. Yakobson, S. Wei, M. J. Yacaman, J. M. Tour

“High-performance hydrogen evolution from MoS2(1-x)Px solid solution”

Advanced Materials 2015, DOI: 10.1002/adma.201504866


J. Ye, M. T. Ong, T. W. Heo, P. G. Campbell, M. A. Worsley, Y. Liu, S. J. Shin, S. Charnvanichborikarn, M. J. Matthews, M. Bagge-Hansen, J. R.I. Lee, B. C. Wood, Y. M. Wang

“Universal roles of hydrogen in electrochemical performance of graphene: high rate capacity and atomistic origins”

Sci. Rep. 2015, 5, 16190


J. Lin, Z. Peng, Y. Liu, F. Ruiz-Zepeda, R. Ye, E. Samuel, M. Jose-Yacaman, B. I. Yakobson, J. M. Tour

“Laser-induced porous graphene films from commercial polymers”

Nature Communications 2014, 5, 5714


Z. Yan, Y. Liu, (co-first author) L. Ju, Z. Peng, J. Lin, G. Wang, H. Zhou, C. Xiang, E. Samuel, C. Kittrell, V. Artyukhov, F. Wang, B. I. Yakobson, J. M. Tour

“Large Hexagonal Bi- and Trilayer Graphene Single Crystals with Varied Interlayer Rotations”

Angew. Chem. Int. Edit. 2014, 126, 1591


M. Liu, A. Kutana, Y. Liu, B. I. Yakobson

“First Principles Studies of Li Nucleation on Graphene”

J. Phys. Chem. Lett. 2014, 5, 1225


Y. Hao, M. S. Bharathi, L. Wang, Y. Liu, H. Chen, S. Nie, X. Wang, H. Chou, C. Tan, B. Fallahazad, H. Ramanarayan, C. W. Magnuson, E. Tutuc, B. I. Yakobson, K. F. McCarty, Y. Zhang, P. Kim, J. Hone, L. Colombo, R. S. Ruoff

“Large Single Crystal Graphene Growth on Copper: The Role of Oxygen”

Science 2013, 342, 720 (cover article)


X. Zou, Y. Liu, B. I. Yakobson

“Predicting Dislocations and Grain Boundaries in Two-dimensional Metal-disulfides from the First Principles”

Nano Lett. 2013, 13, 253


Z. Yan, Y. Liu, J. Lin, Z. Peng, G. Wang, E. Pembroke, H. Zhou, C. Xiang, A. Raji, E. Samuel, T. Yu, B. I. Yakobson, J. M. Tour

“Hexagonal Graphene Onion Rings”

J. Am. Chem. Soc. 2013, 135, 10755


H. Zhou, F. Yu, Y. Liu, X. Zou, C. Cong, C. Qiu, T. Yu, Z. Yan, X. Shen, L. Sun, B. I. Yakobson, J. M. Tour

“Thickness-dependent Patterning of MoS2 Sheets with Well-oriented Triangular Pits by Heating in Air”

Nano Research 2013, 6, 703


V. I. Artyukhov, Y. Liu, B. I. Yakobson

“Equilibrium at the Edge and Atomistic Mechanisms of Graphene Growth”

PNAS 2012, 109, 15136


K. Kim, V. I. Artyukhov, W. Regan, Y. Liu, M. Crommie, B. I. Yakobson, A. Zettl

“Ripping Graphene: Preferred Directions”

Nano Lett. 2012 12 293


M. Gong, Y. Liu, X. Xu

“A New Model for the Formation of Contact Angle and Contact Angle Hysteresis”

Chinese Physics B 2010, 19, 106801


M. Gong, X. Xu, Z. Cao, Y. Liu, H. Zhu

“Two-step Growth of Superhydrophobic ZnO Nanorod Array Films”

Acta Physica Sinica 2009, 58, 1885 


M. Gong, X. Xu, Z. Yang, Y. Liu, H. Lv, L. Lv

“A Reticulate Superhydrophobic Self-assembly Structure Prepared by ZnO Nanowires”

Nanotechnology 2009, 20, 165602