| Year |
Citation |
Score |
| 2023 |
Wang Z, Goddard WA, Xiao H. Potential-dependent transition of reaction mechanisms for oxygen evolution on layered double hydroxides. Nature Communications. 14: 4228. PMID 37454140 DOI: 10.1038/s41467-023-40011-8 |
0.369 |
|
| 2022 |
Jiao J, Zhang NN, Zhang C, Sun N, Pan Y, Chen C, Li J, Tan M, Cui R, Shi Z, Zhang J, Xiao H, Lu T. Doping Ruthenium into Metal Matrix for Promoted pH-Universal Hydrogen Evolution. Advanced Science (Weinheim, Baden-Wurttemberg, Germany). e2200010. PMID 35332693 DOI: 10.1002/advs.202200010 |
0.319 |
|
| 2022 |
Lai Q, Chu ZQ, Xiao X, Dai D, Song T, Luo TY, Tang W, Feng X, Zhang Z, Li T, Xiao H, Su J, Liu C. Two-dimensional Zr/Hf-hydroxamate metal-organic frameworks. Chemical Communications (Cambridge, England). PMID 35103744 DOI: 10.1039/d2cc00213b |
0.333 |
|
| 2020 |
Li J, Liu Y, Liu JC, Li TH, Duan ZH, Zhang TY, Yan M, Li WL, Xiao H, Wang YG, Chang CR. Unravelling the Enigma of Nonoxidative Conversion of Methane on Iron Single-Atom Catalysts. Angewandte Chemie (International Ed. in English). PMID 32643319 DOI: 10.1002/Anie.202003908 |
0.753 |
|
| 2020 |
Ye Y, Qian J, Yang H, Su H, Lee KJ, Etxebarria A, Cheng T, Xiao H, Yano J, Goddard WA, Crumlin EJ. Synergy between Silver-Copper Surface Alloy Composition and Carbon Dioxide Adsorption and Activation. Acs Applied Materials & Interfaces. PMID 32383583 DOI: 10.1021/Acsami.0C02057 |
0.45 |
|
| 2020 |
Wan J, Liu D, Xiao H, Rong H, Guan S, Xie F, Wang D, Li Y. Facet engineering in metal organic frameworks to improve their electrochemical activity for water oxidation. Chemical Communications (Cambridge, England). PMID 32187248 DOI: 10.1039/D0Cc00700E |
0.303 |
|
| 2020 |
Cai K, Shi Y, Cao C, Vemuri S, Cui B, Shen D, Wu H, Zhang L, Qiu Y, Chen H, Jiao Y, Stern CL, Alsubaie FM, Xiao H, Li J, et al. Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes. Chemical Science. 11: 107-112. PMID 32110362 DOI: 10.1039/C9Sc04860J |
0.31 |
|
| 2020 |
Liu JC, Xiao H, Li J. Constructing High-Loading Single-Atom/Cluster Catalysts via an Electrochemical Potential Window Strategy. Journal of the American Chemical Society. PMID 31994381 DOI: 10.1021/Jacs.9B06808 |
0.383 |
|
| 2020 |
Li J, Jiao J, Zhang H, Zhu P, Ma H, Chen C, Xiao H, Lu Q. Two-Dimensional SnO2 Nanosheets for EfficientCarbon Dioxide Electroreduction to Formate Acs Sustainable Chemistry & Engineering. DOI: 10.1021/Acssuschemeng.0C01070.S001 |
0.364 |
|
| 2019 |
Zhuang Z, Wang Y, Xu CQ, Liu S, Chen C, Peng Q, Zhuang Z, Xiao H, Pan Y, Lu S, Yu R, Cheong WC, Cao X, Wu K, Sun K, et al. Three-dimensional open nano-netcage electrocatalysts for efficient pH-universal overall water splitting. Nature Communications. 10: 4875. PMID 31653856 DOI: 10.1038/S41467-019-12885-0 |
0.581 |
|
| 2019 |
Lu JB, Ma XL, Wang JQ, Jiang YF, Li Y, Hu HS, Xiao H, Li J. The df-d Dative Bonding in a Uranium-Cobalt Heterobimetallic Complex for Efficient Nitrogen Fixation. Inorganic Chemistry. PMID 31117628 DOI: 10.1021/Acs.Inorgchem.9B00598 |
0.656 |
|
| 2019 |
Ye Y, Yang H, Qian J, Su H, Lee KJ, Cheng T, Xiao H, Yano J, Goddard WA, Crumlin EJ. Dramatic differences in carbon dioxide adsorption and initial steps of reduction between silver and copper. Nature Communications. 10: 1875. PMID 31015453 DOI: 10.1038/S41467-019-09846-Y |
0.47 |
|
| 2019 |
Liu D, Liu JC, Cai W, Ma J, Yang HB, Xiao H, Li J, Xiong Y, Huang Y, Liu B. Selective photoelectrochemical oxidation of glycerol to high value-added dihydroxyacetone. Nature Communications. 10: 1779. PMID 30992441 DOI: 10.1038/S41467-019-09788-5 |
0.306 |
|
| 2019 |
Ouyang C, Ni B, Sun Z, Zhuang J, Xiao H, Wang X. Boosting the ORR performance of modified carbon black C-O bonds. Chemical Science. 10: 2118-2123. PMID 30881635 DOI: 10.1039/C8Sc05236K |
0.356 |
|
| 2019 |
Gao J, Xu CQ, Hung SF, Liu W, Cai W, Zeng Z, Jia C, Chen HM, Xiao H, Li J, Huang Y, Liu B. Breaking Long-Range Order in Iridium Oxide by Alkali Ion for Efficient Water Oxidation. Journal of the American Chemical Society. PMID 30673269 DOI: 10.1021/Jacs.8B11456 |
0.577 |
|
| 2019 |
Jiao J, Lin R, Liu S, Cheong WC, Zhang C, Chen Z, Pan Y, Tang J, Wu K, Hung SF, Chen HM, Zheng L, Lu Q, Yang X, Xu B, ... Xiao H, et al. Copper atom-pair catalyst anchored on alloy nanowires for selective and efficient electrochemical reduction of CO. Nature Chemistry. PMID 30664719 DOI: 10.1038/S41557-018-0201-X |
0.407 |
|
| 2019 |
Zhang W, Ma X, Xiao H, Lei M, Li J. Mechanistic Investigations on Thermal Hydrogenation of CO2 to Methanol by Nanostructured CeO2(100): The Crystal-Plane Effect on Catalytic Reactivity The Journal of Physical Chemistry C. 123: 11763-11771. DOI: 10.1021/Acs.Jpcc.9B02120 |
0.403 |
|
| 2019 |
Lin R, Ma X, Cheong W, Zhang C, Zhu W, Pei J, Zhang K, Wang B, Liang S, Liu Y, Zhuang Z, Yu R, Xiao H, Li J, Wang D, et al. PdAg bimetallic electrocatalyst for highly selective reduction of CO2 with low COOH* formation energy and facile CO desorption Nano Research. 12: 2866-2871. DOI: 10.1007/S12274-019-2526-1 |
0.366 |
|
| 2018 |
Wang X, Xiao H, Li A, Li Z, Liu S, Zhang Q, Gong Y, Zheng L, Zhu Y, Chen C, Wang D, Peng Q, Gu L, Han X, Li J, et al. Constructing NiCo/Fe3O4 Heteroparticles within MOF-74 for Efficient Oxygen Evolution Reactions. Journal of the American Chemical Society. PMID 30352508 DOI: 10.1021/Jacs.8B08744 |
0.388 |
|
| 2018 |
Shi Y, Cai K, Xiao H, Liu Z, Zhou J, Shen D, Qiu Y, Guo Q, Stern C, Wasielewski MR, Diederich F, Goddard WA, Stoddart JF. Selective Extraction of C70 by a Tetragonal Prismatic Porphyrin Cage. Journal of the American Chemical Society. PMID 30265801 DOI: 10.1021/Jacs.8B08555 |
0.387 |
|
| 2018 |
Wei S, Li A, Liu JC, Li Z, Chen W, Gong Y, Zhang Q, Cheong WC, Wang Y, Zheng L, Xiao H, Chen C, Wang D, Peng Q, Gu L, et al. Direct observation of noble metal nanoparticles transforming to thermally stable single atoms. Nature Nanotechnology. PMID 30013217 DOI: 10.1038/S41565-018-0197-9 |
0.359 |
|
| 2018 |
Xiao H, Shin H, Goddard WA. Synergy between Fe and Ni in the optimal performance of (Ni,Fe)OOH catalysts for the oxygen evolution reaction. Proceedings of the National Academy of Sciences of the United States of America. PMID 29784794 DOI: 10.1073/Pnas.1722034115 |
0.648 |
|
| 2018 |
Shin H, Xiao H, Goddard WA. In silico discovery of new dopants for Fe-doped Ni oxyhydroxide (Ni1-xFexOOH) catalysts for oxygen evolution reaction. Journal of the American Chemical Society. PMID 29749225 DOI: 10.1021/Jacs.8B02225 |
0.661 |
|
| 2018 |
Li Q, Chen W, Xiao H, Gong Y, Li Z, Zheng L, Zheng X, Yan W, Cheong WC, Shen R, Fu N, Gu L, Zhuang Z, Chen C, Wang D, et al. Fe Isolated Single Atoms on S, N Codoped Carbon by Copolymer Pyrolysis Strategy for Highly Efficient Oxygen Reduction Reaction. Advanced Materials (Deerfield Beach, Fla.). e1800588. PMID 29726038 DOI: 10.1002/Adma.201800588 |
0.413 |
|
| 2018 |
Liu JC, Ma XL, Li Y, Wang YG, Xiao H, Li J. Heterogeneous Fe single-cluster catalyst for ammonia synthesis via an associative mechanism. Nature Communications. 9: 1610. PMID 29686395 DOI: 10.1038/S41467-018-03795-8 |
0.66 |
|
| 2018 |
Lu JB, Ma XL, Wang JQ, Liu JC, Xiao H, Li J. Efficient Nitrogen Fixation via a Redox-Flexible Single-Fe-Site With Reverse-Dative Fe→B σ Bonding. The Journal of Physical Chemistry. A. PMID 29648830 DOI: 10.1021/Acs.Jpca.8B02089 |
0.44 |
|
| 2018 |
Wang C, He Q, Halim U, Liu Y, Zhu E, Lin Z, Xiao H, Duan X, Feng Z, Cheng R, Weiss NO, Ye G, Huang YC, Wu H, Cheng HC, et al. Monolayer atomic crystal molecular superlattices. Nature. 555: 231-236. PMID 29517002 DOI: 10.1038/Nature25774 |
0.32 |
|
| 2018 |
Wang L, Xiao H, Cheng T, Li Y, Goddard WA. Pb-activated Amine-assisted Photocatalytic Hydrogen Evolution Reaction on Organic-Inorganic Perovskites. Journal of the American Chemical Society. PMID 29347816 DOI: 10.1021/Jacs.7B12028 |
0.583 |
|
| 2018 |
Wang L, Goddard WA, Cheng T, Xiao H, Li Y. In Silico Optimization of Organic–Inorganic Hybrid Perovskites for Photocatalytic Hydrogen Evolution Reaction in Acidic Solution The Journal of Physical Chemistry C. 122: 20918-20922. DOI: 10.1021/Acs.Jpcc.8B07380 |
0.584 |
|
| 2017 |
Ma XL, Liu JC, Xiao H, Li J. Surface Cluster Catalyst for N2-to-NH3 Thermal Conversion. Journal of the American Chemical Society. PMID 29244491 DOI: 10.1021/Jacs.7B10354 |
0.392 |
|
| 2017 |
Cheng T, Xiao H, Goddard WA. Nature of the active sites for CO reduction on copper nanoparticles; suggestions for optimizing performance. Journal of the American Chemical Society. PMID 28810738 DOI: 10.1021/Jacs.7B03300 |
0.423 |
|
| 2017 |
Favaro M, Xiao H, Cheng T, Goddard WA, Yano J, Crumlin EJ. Subsurface oxide plays a critical role in CO2 activation by Cu(111) surfaces to form chemisorbed CO2, the first step in reduction of CO2. Proceedings of the National Academy of Sciences of the United States of America. PMID 28607092 DOI: 10.1073/Pnas.1701405114 |
0.45 |
|
| 2017 |
Xiao H, Goddard WA, Cheng T, Liu Y. Cu metal embedded in oxidized matrix catalyst to promote CO2 activation and CO dimerization for electrochemical reduction of CO2. Proceedings of the National Academy of Sciences of the United States of America. PMID 28607069 DOI: 10.1073/Pnas.1702405114 |
0.457 |
|
| 2017 |
Gong X, Young RM, Hartlieb KJ, Miller C, Wu Y, Xiao H, Li P, Hafezi N, Zhou J, Ma L, Cheng T, Goddard WA, Farha OK, Hupp JT, Wasielewski MR, et al. Intramolecular Energy and Electron Transfer Within a Diazaperopyrenium-Based Cyclophane. Journal of the American Chemical Society. PMID 28225610 DOI: 10.1021/Jacs.6B13223 |
0.433 |
|
| 2017 |
Lipke MC, Cheng T, Wu Y, Arslan H, Xiao H, Wasielewski MR, Goddard WA, Stoddart JF. Size-Matched Radical Multivalency. Journal of the American Chemical Society. PMID 28170237 DOI: 10.1021/Jacs.6B09892 |
0.4 |
|
| 2017 |
Cheng T, Xiao H, Goddard WA. Full atomistic reaction mechanism with kinetics for CO reduction on Cu(100) from ab initio molecular dynamics free-energy calculations at 298 K. Proceedings of the National Academy of Sciences of the United States of America. PMID 28167767 DOI: 10.1073/Pnas.1612106114 |
0.483 |
|
| 2017 |
Cheng T, Goddard WA, An Q, Xiao H, Merinov B, Morozov S. Mechanism and kinetics of the electrocatalytic reaction responsible for the high cost of hydrogen fuel cells. Physical Chemistry Chemical Physics : Pccp. PMID 28067933 DOI: 10.1039/C6Cp08055C |
0.553 |
|
| 2017 |
Ly Q, Merinov BV, Xiao H, Goddard WA, Yu TH. The Oxygen Reduction Reaction on Graphene from Quantum Mechanics: Comparing Armchair and Zigzag Carbon Edges The Journal of Physical Chemistry C. 121: 24408-24417. DOI: 10.1021/Acs.Jpcc.7B07405 |
0.451 |
|
| 2017 |
Xu C, Xing D, Xiao H, Li J. Manipulating Stabilities and Catalytic Properties of Trinuclear Metal Clusters through Tuning the Chemical Bonding: H2 Adsorption and Activation The Journal of Physical Chemistry C. 121: 10992-11001. DOI: 10.1021/Acs.Jpcc.7B00081 |
0.564 |
|
| 2017 |
Fan Z, Xiao H, Wang Y, Zhao Z, Lin Z, Cheng H, Lee S, Wang G, Feng Z, Goddard WA, Huang Y, Duan X. Layer-by-Layer Degradation of Methylammonium Lead Tri-iodide Perovskite Microplates Joule. 1: 548-562. DOI: 10.1016/J.Joule.2017.08.005 |
0.416 |
|
| 2016 |
Xiao H, Cheng T, Goddard WA. Atomistic Mechanisms Underlying Selectivities in C1 and C2 Products from Electrochemical Reduction of CO on Cu(111). Journal of the American Chemical Society. PMID 28001061 DOI: 10.1021/Jacs.6B06846 |
0.434 |
|
| 2016 |
Liu Y, Xiao H, Goddard WA. Schottky-Barrier-Free Contacts with Two-Dimensional Semiconductors by Surface-Engineered MXenes. Journal of the American Chemical Society. 138: 15853-15856. PMID 27960324 DOI: 10.1021/Jacs.6B10834 |
0.453 |
|
| 2016 |
Cheng T, Xiao H, Goddard WA. Reaction Mechanisms for the Electrochemical Reduction of CO2 to CO and Formate on the Cu(100) Surface at 298K from Quantum Mechanics Free Energy Calculations with Explicit Water. Journal of the American Chemical Society. PMID 27726392 DOI: 10.1021/Jacs.6B08534 |
0.476 |
|
| 2016 |
Jiang S, Fang Y, Li R, Xiao H, Crowley J, Wang C, White TJ, Goddard WA, Wang Z, Baikie T, Fang J. Pressure-Dependent Polymorphism and Band-Gap Tuning of Methylammonium Lead Iodide Perovskite. Angewandte Chemie (International Ed. in English). PMID 27101324 DOI: 10.1002/Anie.201601788 |
0.386 |
|
| 2016 |
Liu Y, Xiao H, Goddard Iii WA. Two-dimensional Halide Perovskites: Tuning Electronic Activities of Defects. Nano Letters. PMID 27100910 DOI: 10.1021/Acs.Nanolett.6B00964 |
0.321 |
|
| 2016 |
Li G, Bajaj S, Aydemir U, Hao S, Xiao H, Goddard WA, Zhai P, Zhang Q, Snyder GJ. P-Type Co Interstitial Defects in Thermoelectric Skutterudite CoSb3 Due to the Breakage of Sb4-Rings Chemistry of Materials. 28: 2172-2179. DOI: 10.1021/Acs.Chemmater.6B00112 |
0.387 |
|
| 2016 |
Luo S, Eisler C, Wong TH, Xiao H, Lin CE, Wu TT, Shen CH, Shieh JM, Tsai CC, Liu CW, Atwater HA, Goddard WA, Lee JH, Greer JR. Suppression of surface recombination in CuInSe2 (CIS) thin films via Trioctylphosphine Sulfide (TOP:S) surface passivation Acta Materialia. 106: 171-181. DOI: 10.1016/J.Actamat.2016.01.021 |
0.392 |
|
| 2015 |
Xiao H, Cheng T, Goddard Iii WA, Sundararaman R. Mechanistic Explanation of the pH Dependence and Onset Potentials for Hydrocarbon Products from Electrochemical Reduction of CO on Cu(111). Journal of the American Chemical Society. PMID 26716884 DOI: 10.1021/Jacs.5B11390 |
0.3 |
|
| 2015 |
Cheng T, Xiao H, Goddard WA. Free-Energy Barriers and Reaction Mechanisms for the Electrochemical Reduction of CO on the Cu(100) Surface, Including Multiple Layers of Explicit Solvent at pH 0. The Journal of Physical Chemistry Letters. 4767-4773. PMID 26562750 DOI: 10.1021/Acs.Jpclett.5B02247 |
0.46 |
|
| 2015 |
Xiao H, Jaramillo-Botero A, Theofanis PL, Goddard WA. Non-adiabatic dynamics modeling framework for materials in extreme conditions Mechanics of Materials. 90: 243-252. DOI: 10.1016/J.Mechmat.2015.02.008 |
0.735 |
|
| 2014 |
An Q, Xiao H, Goddard WA, Meng X. Stability of NNO and NPO Nanotube Crystals. The Journal of Physical Chemistry Letters. 5: 485-9. PMID 26276596 DOI: 10.1021/Jz402682Y |
0.529 |
|
| 2014 |
Xiao H, Goddard WA. Predicted roles of defects on band offsets and energetics at CIGS (Cu(In,Ga)Se₂/CdS) solar cell interfaces and implications for improving performance. The Journal of Chemical Physics. 141: 094701. PMID 25194380 DOI: 10.1063/1.4893985 |
0.394 |
|
| 2014 |
An Q, Liu W, Goddard WA, Cheng T, Zybin SV, Xiao H. Initial Steps of Thermal Decomposition of Dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate Crystals from Quantum Mechanics The Journal of Physical Chemistry C. 118: 27175-27181. DOI: 10.1021/Jp509582X |
0.545 |
|
| 2014 |
An Q, Goddard WA, Xiao H, Cheng T. Deformation Induced Solid–Solid Phase Transitions in Gamma Boron Chemistry of Materials. 26: 4289-4298. DOI: 10.1021/Cm5020114 |
0.488 |
|
| 2013 |
Meng X, Xiao H, Wen X, Goddard WA, Li S, Qin G. Dependence on the structure and surface polarity of ZnS photocatalytic activities of water splitting: first-principles calculations. Physical Chemistry Chemical Physics : Pccp. 15: 9531-9. PMID 23674155 DOI: 10.1039/C3Cp50330E |
0.46 |
|
| 2013 |
Xiao H, An Q, Goddard WA, Liu WG, Zybin SV. Formation of the -N(NO)N(NO)- polymer at high pressure and stabilization at ambient conditions. Proceedings of the National Academy of Sciences of the United States of America. 110: 5321-5. PMID 23503849 DOI: 10.1073/Pnas.1222890110 |
0.502 |
|
| 2012 |
Theofanis PL, Jaramillo-Botero A, Goddard WA, Xiao H. Nonadiabatic study of dynamic electronic effects during brittle fracture of silicon. Physical Review Letters. 108: 045501. PMID 22400860 DOI: 10.1103/Physrevlett.108.045501 |
0.723 |
|
| 2011 |
Xiao H, Tahir-Kheli J, Goddard WA. Accurate Band Gaps for Semiconductors from Density Functional Theory The Journal of Physical Chemistry Letters. 2: 212-217. DOI: 10.1021/Jz101565J |
0.385 |
|
| 2010 |
Xiao H, Hu HS, Schwarz WH, Li J. Theoretical investigations of geometry, electronic structure and stability of UO(6): octahedral uranium hexoxide and its isomers. The Journal of Physical Chemistry. A. 114: 8837-44. PMID 20572656 DOI: 10.1021/Jp102107N |
0.71 |
|
| 2007 |
Sun ZM, Xiao H, Li J, Wang LS. Pd(2)@Sn(18)(4-): fusion of two endohedral stannaspherenes. Journal of the American Chemical Society. 129: 9560-1. PMID 17630742 DOI: 10.1021/Ja0728674 |
0.306 |
|
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