| Graphdiyne: A promising anode material for lithium ion batteries with high capacity and rate capability H Zhang, Y Xia, H Bu, X Wang, M Zhang, Y Luo, M Zhao Journal of Applied Physics 113 (4), 044309, 2013 | 158 | 2013 |
| Accurate ionization potentials and electron affinities of acceptor Molecules III: A Benchmark of GW Methods J Knight, X Wang, L Gallandi, O Dolgounitcheva, X Ren, V Ortiz, P Rinke, ... Journal of chemical theory and computation 12 (2), 615-626, 2016 | 136 | 2016 |
| Isoelectronic doping of graphdiyne with boron and nitrogen: stable configurations and band gap modification H Bu, M Zhao, H Zhang, X Wang, Y Xi, Z Wang The Journal of Physical Chemistry A 116 (15), 3934-3939, 2012 | 128 | 2012 |
| Spin-polarization and ferromagnetism of graphitic carbon nitride materials X Zhang, M Zhao, A Wang, X Wang, A Du Journal of Materials Chemistry C 1 (39), 6265-6270, 2013 | 80 | 2013 |
| Effect of crystal packing on the excitonic properties of rubrene polymorphs X Wang, T Garcia, S Monaco, B Schatschneider, N Marom Crystal Engineering Communications 18, 7353, 2016 | 60 | 2016 |
| First-principles prediction of a new Dirac-fermion material: silicon germanide monolayer H Zhou, M Zhao, X Zhang, W Dong, X Wang, H Bu, A Wang Journal of Physics: Condensed Matter 25 (39), 395501, 2013 | 57 | 2013 |
| Moiré superstructures of silicene on hexagonal boron nitride: a first-principles study L Li, X Wang, X Zhao, M Zhao Physics Letters A 377 (38), 2628-2632, 2013 | 56 | 2013 |
| First-principles prediction of the transition from graphdiyne to a superlattice of carbon nanotubes and graphene nanoribbons H Bu, M Zhao, A Wang, X Wang Carbon 65, 341-348, 2013 | 49 | 2013 |
| Hybrid density functional study of band alignment in ZnO–GaN and ZnO–(Ga 1− x Zn x)(N 1− x O x)–GaN heterostructures Z Wang, M Zhao, X Wang, Y Xi, X He, X Liu, S Yan Physical Chemistry Chemical Physics 14 (45), 15693-15698, 2012 | 47 | 2012 |
| A metallic carbon allotrope with superhardness: a first-principles prediction H Bu, M Zhao, W Dong, S Lu, X Wang Journal of Materials Chemistry C 2 (15), 2751-2757, 2014 | 37 | 2014 |
| BDF: A relativistic electronic structure program package Y Zhang, B Suo, Z Wang, N Zhang, Z Li, Y Lei, W Zou, J Gao, D Peng, ... The Journal of Chemical Physics 152 (6), 064113, 2020 | 33 | 2020 |
| Graphyne-based carbon allotropes with tunable properties: From Dirac fermion to semiconductor A Wang, L Li, X Wang, H Bu, M Zhao Diamond and related materials 41, 65-72, 2014 | 33 | 2014 |
| Can cation vacancy defects induce room temperature ferromagnetism in GaN? X Wang, M Zhao, T He, Z Wang, X Liu Applied Physics Letters 102 (6), 062411, 2013 | 32 | 2013 |
| Spin-polarization of VGaON center in GaN and its application in spin qubit X Wang, M Zhao, Z Wang, X He, Y Xi, S Yan Applied physics letters 100 (19), 192401, 2012 | 30 | 2012 |
| Is yne-diamond a super-hard material? H Bu, M Zhao, Y Xi, X Wang, H Peng, C Wang, X Liu EPL (Europhysics Letters) 100 (5), 56003, 2012 | 23 | 2012 |
| Honeycomb-patterned quantum dots beyond graphene Y Xi, M Zhao, X Wang, S Li, X He, Z Wang, H Bu The Journal of Physical Chemistry C 115 (36), 17743-17749, 2011 | 23 | 2011 |
| Phenylated acene derivatives as candidates for intermolecular singlet fission X Wang, X Liu, R Tom, C Cook, B Schatschneider, N Marom The Journal of Physical Chemistry C 123 (10), 5890-5899, 2019 | 21 | 2019 |
| An energetics perspective on why there are so few triplet–triplet annihilation emitters X Wang, R Tom, X Liu, DN Congreve, N Marom Journal of Materials Chemistry C 8 (31), 10816-10824, 2020 | 20 | 2020 |
| Formation and annealing behaviors of qubit centers in 4H-SiC from first principles X Wang, M Zhao, H Bu, H Zhang, X He, A Wang Journal of Applied Physics 114 (19), 194305, 2013 | 20 | 2013 |
| On the possibility of singlet fission in crystalline quaterrylene X Wang, X Liu, C Cook, B Schatschneider, N Marom The Journal of chemical physics 148 (18), 184101, 2018 | 18 | 2018 |
Noa MaromAssociate Professor, Materials Science and Engineering, Carnegie Mellon UniversityVerified email at andrew.cmu.edu
