A combined experimental and quantum chemical study of CO 2 adsorption in the metal–organic framework CPO-27 with different metals D Yu, AO Yazaydin, JR Lane, PDC Dietzel, RQ Snurr Chemical Science 4 (9), 3544-3556, 2013 | 197 | 2013 |
Synthesis of carbon nanotubes by rolling up patterned graphene nanoribbons using selective atomic adsorption D Yu, F Liu Nano letters 7 (10), 3046-3050, 2007 | 174 | 2007 |
First-principles study of electronic properties of biaxially strained silicon: Effects on charge carrier mobility D Yu, Y Zhang, F Liu Physical Review B 78 (24), 245204, 2008 | 129 | 2008 |
Collective magnetic behavior of graphene nanohole superlattices D Yu, EM Lupton, M Liu, W Liu, F Liu Nano Research 1, 56-62, 2008 | 111 | 2008 |
A unified geometric rule for designing nanomagnetism in graphene D Yu, EM Lupton, HJ Gao, C Zhang, F Liu Nano Research 1, 497-501, 2008 | 90 | 2008 |
Mechano-electronic superlattices in silicon nanoribbons M Huang, CS Ritz, B Novakovic, D Yu, Y Zhang, F Flack, DE Savage, ... Acs Nano 3 (3), 721-727, 2009 | 87 | 2009 |
Computational screening of functional groups for ammonia capture in metal–organic frameworks KC Kim, D Yu, RQ Snurr Langmuir 29 (5), 1446-1456, 2013 | 60 | 2013 |
On the origin of Si nanocrystal formation in a Si suboxide matrix D Yu, S Lee, GS Hwang Journal of applied physics 102 (8), 2007 | 57 | 2007 |
Hierarchical modeling of ammonia adsorption in functionalized metal–organic frameworks D Yu, P Ghosh, RQ Snurr Dalton Transactions 41 (14), 3962-3973, 2012 | 49 | 2012 |
Magnetism in nanopatterned graphite film L Chen, D Yu, F Liu Applied Physics Letters 93 (22), 2008 | 37 | 2008 |
Silicon interstitials at Si∕ SiO 2 interfaces: Density functional calculations TA Kirichenko, D Yu, SK Banerjee, GS Hwang Physical Review B 72 (3), 035345, 2005 | 36 | 2005 |
Structure and diffusion of excess Si atoms in Si O 2 D Yu, GS Hwang, TA Kirichenko, SK Banerjee Physical Review B 72 (20), 205204, 2005 | 28 | 2005 |
Catechol-ligated transition metals: a quantum chemical study on a promising system for gas separation SJ Stoneburner, V Livermore, ME McGreal, D Yu, KD Vogiatzis, RQ Snurr, ... The Journal of Physical Chemistry C 121 (19), 10463-10469, 2017 | 23 | 2017 |
Quantum chemistry calculation and experimental study of CO2/CH4 and functional group interactions for the design of solubility selective membrane materials D Yu, S Matteucci, E Stangland, E Calverley, H Wegener, D Anaya Journal of membrane science 441, 137-147, 2013 | 19 | 2013 |
Bistability of Nanoscale Ag Islands on a Si (111)−(4× 1)− In Surface Induced by Anisotropic Stress Y Li, M Liu, D Ma, D Yu, X Chen, XC Ma, QK Xue, K Xu, JF Jia, F Liu Physical review letters 103 (7), 076102, 2009 | 17 | 2009 |
Structure and dynamics of Ge in the Si–SiO2 system: implications for oxide-embedded Ge nanoparticle formation D Yu, GS Hwang Electrochemical and Solid-State Letters 11 (12), P17, 2008 | 17 | 2008 |
Assessment of a cost-effective approach to the calculation of kinetic and thermodynamic properties of methyl methacrylate homopolymerization: A comprehensive theoretical study G Zhang, IA Konstantinov, SG Arturo, D Yu, LJ Broadbelt Journal of Chemical Theory and Computation 10 (12), 5668-5676, 2014 | 16 | 2014 |
Origin of vacancy and interstitial stabilization at the amorphous-crystalline Si interface SA Harrison, D Yu, TF Edgar, GS Hwang, TA Kirichenko, SK Banerjee Journal of applied physics 96 (6), 3334-3338, 2004 | 9 | 2004 |
ACS Nano 3, 721 (2009) M Huang, CS Ritz, B Novakovic, D Yu, Y Zhang, F Flack, DE Savage, ... | 6 | |
A Combined Computational and Experimental Study of Copolymerization Propagation Kinetics for 1‐Ethylcyclopentyl methacrylate and Methyl methacrylate G Zhang, L Zhang, H Gao, IA Konstantinov, SG Arturo, D Yu, ... Macromolecular Theory and Simulations 25 (3), 263-273, 2016 | 5 | 2016 |