Topology-Scaling Identification of Layered Solids and Stable Exfoliated 2D Materials M Ashton, J Paul, SB Sinnott, RG Hennig Physical Review Letters 118 (10), 106101, 2017 | 398 | 2017 |
Predicted Surface Composition and thermodynamic stability of MXenes in solution M Ashton, K Mathew, R Hennig, S Sinnott Journal of Physical Chemistry C, 2016 | 232 | 2016 |
Two-dimensional intrinsic half-metals with large spin gaps M Ashton, D Gluhovic, SB Sinnott, J Guo, DA Stewart, RG Hennig Nano letters 17 (9), 5251-5257, 2017 | 188 | 2017 |
Behavior of molecules and molecular ions near a field emitter B Gault, DW Saxey, MW Ashton, SB Sinnott, AN Chiaramonti, MP Moody, ... New Journal of Physics 18 (3), 033031, 2016 | 170 | 2016 |
Computational Study of Low Interlayer Friction in Tin+1Cn (n = 1, 2, and 3) MXene D Zhang, M Ashton, A Ostadhossein, ACT Van Duin, RG Hennig, ... ACS applied materials & interfaces 9 (39), 34467-34479, 2017 | 102 | 2017 |
Computational methods for 2D materials: discovery, property characterization, and application design JT Paul, AK Singh, Z Dong, H Zhuang, BC Revard, B Rijal, M Ashton, ... Journal of Physics: Condensed Matter 29 (47), 473001, 2017 | 98 | 2017 |
Computational Characterization of lightweight multilayer MXene Li-ion battery anodes M Ashton, R Hennig, S Sinnott Applied Physics Letters, 2016 | 97 | 2016 |
Computational discovery of stable M 2 AX phases M Ashton, R Hennig, S Broderick, K Rajan, S Sinnott Physical Review B 94 (5), 054116, 2016 | 92 | 2016 |
Computational discovery and characterization of polymorphic two-dimensional IV–V materials M Ashton, SB Sinnott, RG Hennig Applied Physics Letters 109 (19), 2016 | 79 | 2016 |
Quantification of solute deuterium in titanium deuteride by atom probe tomography with both laser pulsing and high-voltage pulsing: Influence of the surface electric field YH Chang, I Mouton, L Stephenson, M Ashton, GK Zhang, A Szczpaniak, ... New Journal of Physics 21 (5), 053025, 2019 | 40 | 2019 |
Predicting the electrochemical synthesis of 2D materials from first principles M Ashton, N Trometer, K Mathew, J Suntivich, C Freysoldt, SB Sinnott, ... The Journal of Physical Chemistry C 123 (5), 3180-3187, 2019 | 37 | 2019 |
Properties of Ti/TiC interfaces from molecular dynamics simulations T Liang, M Ashton, K Choudhary, D Zhang, AF Fonseca, BC Revard, ... The Journal of Physical Chemistry C 120 (23), 12530-12538, 2016 | 33 | 2016 |
Ab initio Description of Bond Breaking in Large Electric Fields M Ashton, A Mishra, J Neugebauer, C Freysoldt Physical Review Letters 124 (17), 176801, 2020 | 31 | 2020 |
Genetic algorithm prediction of two-dimensional group-IV dioxides for dielectrics AK Singh, BC Revard, R Ramanathan, M Ashton, F Tavazza, RG Hennig Physical Review B 95 (15), 155426, 2017 | 29 | 2017 |
Generalized dipole correction for charged surfaces in the repeated-slab approach C Freysoldt, A Mishra, M Ashton, J Neugebauer Physical Review B 102 (4), 045403, 2020 | 26 | 2020 |
High-throughput density functional calculations to optimize properties and interfacial chemistry of piezoelectric materials JA Barr, FY Lin, M Ashton, RG Hennig, SB Sinnott Physical Review Materials 2 (2), 025002, 2018 | 4 | 2018 |
Pushing the limits of APT and FIM by pushing theoretical approaches C Freysoldt, S Katnagallu, S Bhatt, A Saxena, MW Ashton APT & M 2023, 2023 | | 2023 |