Year |
Citation |
Score |
2020 |
Carbone MR, Topsakal M, Lu D, Yoo S. Machine-Learning X-Ray Absorption Spectra to Quantitative Accuracy. Physical Review Letters. 124: 156401. PMID 32357067 DOI: 10.1103/Physrevlett.124.156401 |
0.315 |
|
2020 |
Tang F, Jiang X, Ko H, Xu J, Topsakal M, Hao G, N'Diaye AT, Dowben PA, Lu D, Xu X, Wu X. Probing ferroelectricity by x-ray absorption spectroscopy in molecular crystals Physical Review Materials. 4. DOI: 10.1103/Physrevmaterials.4.034401 |
0.333 |
|
2019 |
Lovat G, Doud EA, Lu D, Kladnik G, Inkpen MS, Steigerwald ML, Cvetko D, Hybertsen MS, Morgante A, Roy X, Venkataraman L. Determination of the structure and geometry of N-heterocyclic carbenes on Au(111) using high-resolution spectroscopy. Chemical Science. 10: 930-935. PMID 30774887 DOI: 10.1039/C8Sc03502D |
0.323 |
|
2019 |
Kottwitz M, Li Y, Palomino RM, Liu Z, Wang G, Wu Q, Huang J, Timoshenko J, Senanayake SD, Balasubramanian M, Lu D, Nuzzo RG, Frenkel AI. Local Structure and Electronic State of Atomically Dispersed Pt Supported on Nanosized CeO2 Acs Catalysis. 9: 8738-8748. DOI: 10.1021/Acscatal.9B02083 |
0.332 |
|
2019 |
Zhong J, Wang M, Akter N, Stacchiola DJ, Lu D, Boscoboinik JA. Room-Temperature in Vacuo Chemisorption of Xenon Atoms on Ru(0001) under Interface Confinement The Journal of Physical Chemistry C. 123: 13578-13585. DOI: 10.1021/Acs.Jpcc.9B01110 |
0.353 |
|
2018 |
Singh H, Topsakal M, Attenkofer K, Wolf T, Leskes M, Duan Y, Wang F, Vinson J, Lu D, Frenkel AI. Identification of dopant site and its effect on electrochemical activity in Mn-doped lithium titanate. Physical Review Materials. 2. PMID 31093600 DOI: 10.1103/Physrevmaterials.2.125403 |
0.326 |
|
2018 |
Ravel B, Kropf AJ, Yang D, Wang M, Topsakal M, Lu D, Stennett MC, Hyatt NC. Nonresonant valence-to-core x-ray emission spectroscopy of niobium. Physical Review. B. 97. PMID 31080938 DOI: 10.1103/Physrevb.97.125139 |
0.305 |
|
2018 |
Wang M, Zhong J, Stacchiola DJ, Boscoboinik JA, Lu D. First-Principles Study of Interface Structures and Charge Rearrangement at the Aluminosilicate/Ru(0001) Heterojunction The Journal of Physical Chemistry C. 123: 7731-7739. DOI: 10.1021/Acs.Jpcc.8B05853 |
0.321 |
|
2017 |
Tao J, Chen J, Li J, Mathurin L, Zheng JC, Li Y, Lu D, Cao Y, Wu L, Cava RJ, Zhu Y. Reversible structure manipulation by tuning carrier concentration in metastable Cu2S. Proceedings of the National Academy of Sciences of the United States of America. PMID 28855335 DOI: 10.1073/Pnas.1709163114 |
0.305 |
|
2017 |
Lu F, Zhang Y, Liu S, Lu D, Su D, Liu M, Zhang Y, Liu P, Wang JX, Adzic RR, Gang O. Surface Proton Transfer Promotes Four-Electron Oxygen Reduction on Gold Nanocrystal Surfaces in Alkaline Solution. Journal of the American Chemical Society. PMID 28493691 DOI: 10.1021/Jacs.7B01735 |
0.319 |
|
2017 |
Ge X, Lu D. Molecular polarizability of water from local dielectric response theory Physical Review B. 96: 75114. DOI: 10.1103/Physrevb.96.075114 |
0.326 |
|
2016 |
Timoshenko J, Shivhare A, Scott RW, Lu D, Frenkel AI. Solving local structure around dopants in metal nanoparticles with ab initio modeling of X-ray absorption near edge structure. Physical Chemistry Chemical Physics : Pccp. PMID 27381015 DOI: 10.1039/C6Cp04030F |
0.312 |
|
2016 |
Wang M, Zhong J, Kestell J, Waluyo I, Stacchiola DJ, Boscoboinik JA, Lu D. Energy Level Shifts at the Silica/Ru(0001) Heterojunction Driven by Surface and Interface Dipoles Topics in Catalysis. 60: 481-491. DOI: 10.1007/S11244-016-0704-X |
0.335 |
|
2013 |
Kaur A, Ylvisaker ER, Lu D, Pham TA, Galli G, Pickett WE. Spectral representation analysis of dielectric screening in solids and molecules Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.155144 |
0.322 |
|
2012 |
Ping Y, Rocca D, Lu D, Galli G. Ab initio calculations of absorption spectra of semiconducting nanowires within many-body perturbation theory Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.035316 |
0.31 |
|
2010 |
Rocca D, Lu D, Galli G. Ab initio calculations of optical absorption spectra: solution of the Bethe-Salpeter equation within density matrix perturbation theory. The Journal of Chemical Physics. 133: 164109. PMID 21033777 DOI: 10.1063/1.3494540 |
0.341 |
|
2010 |
Li Y, Lu D, Nguyen HV, Galli G. Van der waals interactions in molecular assemblies from first-principles calculations. The Journal of Physical Chemistry. A. 114: 1944-52. PMID 20043660 DOI: 10.1021/Jp9095425 |
0.303 |
|
2009 |
Li Y, Lu D, Galli G. Calculation of Quasi-Particle Energies of Aromatic Self-Assembled Monolayers on Au(111). Journal of Chemical Theory and Computation. 5: 881-6. PMID 26609596 DOI: 10.1021/Ct800465F |
0.305 |
|
2009 |
Lu D, Li Y, Rocca D, Galli G. Ab initio calculation of van der Waals bonded molecular crystals. Physical Review Letters. 102: 206411. PMID 19519054 DOI: 10.1103/Physrevlett.102.206411 |
0.322 |
|
2008 |
Li Y, Lu D, Swanson SA, Scott JC, Galli G. Microscopic characterization of the interface between aromatic isocyanides and Au(111): A first-principles investigation Journal of Physical Chemistry C. 112: 6413-6421. DOI: 10.1021/Jp7111044 |
0.342 |
|
2006 |
Lu D, Aksimentiev A, Shih AY, Cruz-Chu E, Freddolino PL, Arkhipov A, Schulten K. The role of molecular modeling in bionanotechnology. Physical Biology. 3: S40-53. PMID 16582464 DOI: 10.1088/1478-3975/3/1/S05 |
0.625 |
|
2005 |
Li Y, Lu D, Schulten K, Ravaioli U, Rotkin SV. Screening of Water Dipoles Inside Finite-Length Armchair Carbon Nanotubes. Journal of Computational Electronics. 4: 161-165. PMID 18958297 DOI: 10.1007/s10825-005-7130-9 |
0.373 |
|
2005 |
Lu D, Li Y, Ravaioli U, Schulten K. Empirical nanotube model for biological applications. The Journal of Physical Chemistry. B. 109: 11461-7. PMID 16852403 DOI: 10.1021/Jp050420G |
0.479 |
|
2005 |
Lu D, Li Y, Ravaioli U, Schulten K. Ion-nanotube terahertz oscillator. Physical Review Letters. 95: 246801. PMID 16384404 DOI: 10.1103/Physrevlett.95.246801 |
0.425 |
|
2004 |
Sener MK, Park S, Lu D, Damjanovic A, Ritz T, Fromme P, Schulten K. Excitation migration in trimeric cyanobacterial photosystem I. The Journal of Chemical Physics. 120: 11183-95. PMID 15268148 DOI: 10.1063/1.1739400 |
0.686 |
|
2004 |
Lu D, Li Y, Rotkin SV, Ravaioli U, Schulten K. Finite-size effect and wall polarization in a carbon nanotube channel Nano Letters. 4: 2383-2387. DOI: 10.1021/Nl0485511 |
0.445 |
|
2003 |
Lu D, Grayson P, Schulten K. Glycerol conductance and physical asymmetry of the Escherichia coli glycerol facilitator GlpF. Biophysical Journal. 85: 2977-87. PMID 14581200 DOI: 10.1016/S0006-3495(03)74718-3 |
0.417 |
|
2003 |
Park S, Sener MK, Lu D, Schulten K. Reaction paths based on mean first-passage times Journal of Chemical Physics. 119: 1313-1319. DOI: 10.1063/1.1570396 |
0.462 |
|
2002 |
Sener MK, Lu D, Ritz T, Park S, Fromme P, Schulten K. Robustness and optimality of light harvesting in cyanobacterial photosystem I Journal of Physical Chemistry B. 106: 7948-7960. DOI: 10.1021/Jp020708V |
0.688 |
|
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