Publications
2024
Enhancement of Low Temperature Superionic Conductivity by Suppression of Li Site Ordering in Li<sub>7</sub>Si<sub>2-x</sub>Ge<sub>x</sub>S<sub>7</sub>I.
Han, G., Daniels, L. M., Vasylenko, A., Morrison, K. A., Corti, L., Collins, C. M., . . . Rosseinsky, M. J. (2024). Enhancement of Low Temperature Superionic Conductivity by Suppression of Li Site Ordering in Li<sub>7</sub>Si<sub>2-x</sub>Ge<sub>x</sub>S<sub>7</sub>I.. Angewandte Chemie (International ed. in English), 63(37), e202409372. doi:10.1002/anie.202409372
Enhancement of Low Temperature Superionic Conductivity by Suppression of Li Site Ordering in Li<sub>7</sub>Si<sub>2–x</sub>Ge<sub>x</sub>S<sub>7</sub>I
Han, G., Daniels, L. M., Vasylenko, A., Morrison, K. A., Corti, L., Collins, C. M., . . . Rosseinsky, M. J. (2024). Enhancement of Low Temperature Superionic Conductivity by Suppression of Li Site Ordering in Li<sub>7</sub>Si<sub>2–x</sub>Ge<sub>x</sub>S<sub>7</sub>I. Angewandte Chemie, 136(37). doi:10.1002/ange.202409372
Revealing the Local Structure and Dynamics of the Solid Li Ion Conductor L3P5O14
Duff, B. B., Corti, L., Turner, B., Han, G., Daniels, L. M., Rosseinsky, M. J., & Blanc, F. (n.d.). Revealing the Local Structure and Dynamics of the Solid Li Ion Conductor L3P5O14. Chemistry of Materials. doi:10.1021/acs.chemmater.4c00727
Superionic lithium transport via multiple coordination environments defined by two-anion packing
Han, G., Vasylenko, A., Daniels, L. M., Collins, C. M., Corti, L., Chen, R., . . . Rosseinsky, M. J. (2024). Superionic lithium transport via multiple coordination environments defined by two-anion packing. Science, 383(6684), 739-745. doi:10.1126/science.adh5115
2022
A database of experimentally measured lithium solid electrolyte conductivities evaluated with machine learning
Hargreaves, C. J. J., Gaultois, M. W. W., Daniels, L. M. M., Watts, E. J. J., Kurlin, V. A. A., Moran, M., . . . Dyer, M. S. S. (2023). A database of experimentally measured lithium solid electrolyte conductivities evaluated with machine learning. NPJ COMPUTATIONAL MATERIALS, 9(1). doi:10.1038/s41524-022-00951-z
Control of Ionic Conductivity by Lithium Distribution in Cubic Oxide Argyrodites Li<sub>6+<i>X</i></sub>P<sub>1-<i>X</i></sub>Si<i><sub>X</sub></i>O<sub>5</sub>Cl
Morscher, A., Duff, B. B., Han, G., Daniels, L. M., Dang, Y., Zanella, M., . . . Rosseinsky, M. J. (2022). Control of Ionic Conductivity by Lithium Distribution in Cubic Oxide Argyrodites Li<sub>6+<i>X</i></sub>P<sub>1-<i>X</i></sub>Si<i><sub>X</sub></i>O<sub>5</sub>Cl. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 144(48), 22178-22192. doi:10.1021/jacs.2c09863
2021
Extended Condensed Ultraphosphate Frameworks with Monovalent Ions Combine Lithium Mobility with High Computed Electrochemical Stability
Han, G., Vasylenko, A., Neale, A. R., Duff, B. B., Chen, R., Dyer, M. S., . . . Rosseinsky, M. J. (2021). Extended Condensed Ultraphosphate Frameworks with Monovalent Ions Combine Lithium Mobility with High Computed Electrochemical Stability. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 143(43), 18216-18232. doi:10.1021/jacs.1c07874
Polymorph of LiAlP<sub>2</sub>O<sub>7</sub>: Combined Computational, Synthetic, Crystallographic, and Ionic Conductivity Study
Shoko, E., Dang, Y., Han, G., Duff, B. B., Dyer, M. S., Daniels, L. M., . . . Rosseinsky, M. J. (2021). Polymorph of LiAlP<sub>2</sub>O<sub>7</sub>: Combined Computational, Synthetic, Crystallographic, and Ionic Conductivity Study. INORGANIC CHEMISTRY, 60(18), 14083-14095. doi:10.1021/acs.inorgchem.1c01396
Li<sub>6</sub>SiO<sub>4</sub>Cl<sub>2</sub>: A Hexagonal Argyrodite Based on Antiperovskite Layer Stacking
Morscher, A., Dyer, M. S., Duff, B. B., Han, G., Gamon, J., Daniels, L. M., . . . Rosseinsky, M. J. (2021). Li<sub>6</sub>SiO<sub>4</sub>Cl<sub>2</sub>: A Hexagonal Argyrodite Based on Antiperovskite Layer Stacking. CHEMISTRY OF MATERIALS, 33(6), 2206-2217. doi:10.1021/acs.chemmater.1c00157
2019
Ba<sub>3</sub>B<sub>10</sub>O<sub>17</sub>F<sub>2</sub>·0.1KF: the first mixed alkali/alkaline-earth metal fluorooxoborate with unprecedented double-layered B-O/F anionic arrangement.
Li, Y., Yu, H., Han, G., Li, H., Yang, Z., & Pan, S. (2019). Ba<sub>3</sub>B<sub>10</sub>O<sub>17</sub>F<sub>2</sub>·0.1KF: the first mixed alkali/alkaline-earth metal fluorooxoborate with unprecedented double-layered B-O/F anionic arrangement.. Chemical communications (Cambridge, England), 55(61), 8923-8926. doi:10.1039/c9cc02808k
Synthesis, characterization, and theoretical analysis of three new nonlinear optical materials K7MRE2B15O30 (M= Ca and Ba, RE= La and Bi)
Xie, Z., Wang, Y., Cheng, S., Han, G., Yang, Z., & Pan, S. (2019). Synthesis, characterization, and theoretical analysis of three new nonlinear optical materials K7MRE2B15O30 (M= Ca and Ba, RE= La and Bi). Science China Materials, 62(8), 1151-1161. doi:10.1007/s40843-019-9412-5
A new barium fluorooxoborate BaB<sub>5</sub>O<sub>8</sub>F•<i>x</i>H<sub>2</sub>O with large birefringence and a wide UV transparency window
Huang, C., Han, G., Li, H., Zhang, F., Yang, Z., & Pan, S. (2019). A new barium fluorooxoborate BaB<sub>5</sub>O<sub>8</sub>F•<i>x</i>H<sub>2</sub>O with large birefringence and a wide UV transparency window. DALTON TRANSACTIONS, 48(20), 6714-6717. doi:10.1039/c9dt00106a
K<sub>9</sub>[B<sub>4</sub>O<sub>5</sub>(OH)<sub>4</sub>]<sub>3</sub>(CO<sub>3</sub>)X·7H<sub>2</sub>O (X = Cl, Br): Syntheses, Characterizations, and Theoretical Studies of Noncentrosymmetric Halogen Borate-Carbonates with Short UV Cutoff Edges.
Zhang, X., Wu, H., Cheng, S., Han, G., Yang, Z., & Pan, S. (2019). K<sub>9</sub>[B<sub>4</sub>O<sub>5</sub>(OH)<sub>4</sub>]<sub>3</sub>(CO<sub>3</sub>)X·7H<sub>2</sub>O (X = Cl, Br): Syntheses, Characterizations, and Theoretical Studies of Noncentrosymmetric Halogen Borate-Carbonates with Short UV Cutoff Edges.. Inorganic chemistry, 58(10), 6974-6982. doi:10.1021/acs.inorgchem.9b00593
Two Polar Molybdenum(VI) Iodates(V) with Large Second-Harmonic Generation Responses
Li, Y., Han, G., Yu, H., Li, H., Yang, Z., & Pan, S. (2019). Two Polar Molybdenum(VI) Iodates(V) with Large Second-Harmonic Generation Responses. Chemistry of Materials, 31(8), 2992-3000. doi:10.1021/acs.chemmater.9b00521
Designing Three Fluorooxoborates with a Wide Transmittance Window by Anionic Group Substitution.
Jiang, D., Han, G., Wang, Y., Li, H., Yang, Z., & Pan, S. (2019). Designing Three Fluorooxoborates with a Wide Transmittance Window by Anionic Group Substitution.. Inorganic chemistry, 58(6), 3596-3600. doi:10.1021/acs.inorgchem.9b00197
The first lithium difluorophosphate LiPO<sub>2</sub>F<sub>2</sub> with a neutral polytetrahedral microporous architecture
Han, G., Wang, Y., Li, H., Yang, Z., & Pan, S. (2019). The first lithium difluorophosphate LiPO<sub>2</sub>F<sub>2</sub> with a neutral polytetrahedral microporous architecture. CHEMICAL COMMUNICATIONS, 55(12), 1817-1820. doi:10.1039/c8cc10158b
2018
Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical Materials
Han, G., Wang, Y., Zhang, B., & Pan, S. (2018). Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical Materials. CHEMISTRY-A EUROPEAN JOURNAL, 24(67), 17638-17650. doi:10.1002/chem.201802787
Frontispiece: Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical Materials
Han, G., Wang, Y., Zhang, B., & Pan, S. (2018). Frontispiece: Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical Materials. Chemistry – A European Journal, 24(67). doi:10.1002/chem.201886763
Expanding Frontiers of Ultraviolet Nonlinear Optical Materials with Fluorophosphates
Zhang, B., Han, G., Wang, Y., Chen, X., Yang, Z., & Pan, S. (2018). Expanding Frontiers of Ultraviolet Nonlinear Optical Materials with Fluorophosphates. CHEMISTRY OF MATERIALS, 30(15), 5397-5403. doi:10.1021/acs.chemmater.8b02223
K11RbB28O48: a new triple- layered borate with an unprecedented [ B28O57] fundamental building block
Jiang, D., Wang, Y., Zhang, B., Han, G., Yang, Z., & Pan, S. (2018). K11RbB28O48: a new triple- layered borate with an unprecedented [ B28O57] fundamental building block. DALTON TRANSACTIONS, 47(32), 10833-10836. doi:10.1039/c8dt02095g
Mo<sup>6+</sup> Cation Enrichment of the Structure Chemistry of Iodates: Syntheses, Structures, and Calculations of Ba(MoO<sub>2</sub>)<sub>2</sub>(IO<sub>3</sub>)<sub>4</sub>O, Ba<sub>3</sub>[(MoO<sub>2</sub>)<sub>2</sub>(IO<sub>3</sub>)<sub>4</sub>O(OH)<sub>4</sub>]·2H<sub>2</sub>O, and Sr[(MoO<sub>2</sub>)<sub>6</sub>(IO<sub>4</sub>)<sub>2</sub>O<sub>4</sub>]·H<sub>2</sub>O.
Li, Y., Wu, H., Zhang, B., Yang, Z., Han, G., & Pan, S. (2018). Mo<sup>6+</sup> Cation Enrichment of the Structure Chemistry of Iodates: Syntheses, Structures, and Calculations of Ba(MoO<sub>2</sub>)<sub>2</sub>(IO<sub>3</sub>)<sub>4</sub>O, Ba<sub>3</sub>[(MoO<sub>2</sub>)<sub>2</sub>(IO<sub>3</sub>)<sub>4</sub>O(OH)<sub>4</sub>]·2H<sub>2</sub>O, and Sr[(MoO<sub>2</sub>)<sub>6</sub>(IO<sub>4</sub>)<sub>2</sub>O<sub>4</sub>]·H<sub>2</sub>O.. Inorganic chemistry, 57(15), 9376-9384. doi:10.1021/acs.inorgchem.8b01365
A Fluorooxosilicophosphate with an Unprecedented SiO<sub>2</sub>F<sub>4</sub> Species
Han, G., Lei, B., Yang, Z., Wang, Y., & Pan, S. (2018). A Fluorooxosilicophosphate with an Unprecedented SiO<sub>2</sub>F<sub>4</sub> Species. Angewandte Chemie, 130(31), 9976-9980. doi:10.1002/ange.201805759
A Fluorooxosilicophosphate with an Unprecedented SiO<sub>2</sub>F<sub>4</sub> Species
Han, G., Lei, B. -H., Yang, Z., Wang, Y., & Pan, S. (2018). A Fluorooxosilicophosphate with an Unprecedented SiO<sub>2</sub>F<sub>4</sub> Species. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 57(31), 9828-9832. doi:10.1002/anie.201805759
A Series of Rare-Earth Borates K<sub>7</sub>MRE<sub>2</sub>B<sub>15</sub>O<sub>30</sub> (M = Zn, Cd, Pb; RE = Sc, Y, Gd, Lu) with Large Second Harmonic Generation Responses
Xie, Z., Mutailipu, M., He, G., Han, G., Wang, Y., Yang, Z., . . . Pan, S. (2018). A Series of Rare-Earth Borates K<sub>7</sub>MRE<sub>2</sub>B<sub>15</sub>O<sub>30</sub> (M = Zn, Cd, Pb; RE = Sc, Y, Gd, Lu) with Large Second Harmonic Generation Responses. Chemistry of Materials, 30(7), 2414-2423. doi:10.1021/acs.chemmater.8b00491
Frontispiece: K<sub>3</sub>B<sub>6</sub>O<sub>9</sub>F<sub>3</sub>: A New Fluorooxoborate with Four Different Anionic Units
Han, G., Shi, G., Wang, Y., Zhang, B., Han, S., Zhang, F., . . . Pan, S. (2018). Frontispiece: K<sub>3</sub>B<sub>6</sub>O<sub>9</sub>F<sub>3</sub>: A New Fluorooxoborate with Four Different Anionic Units. Chemistry – A European Journal, 24(18). doi:10.1002/chem.201881863
K<sub>3</sub>B<sub>6</sub>O<sub>9</sub>F<sub>3</sub>: A New Fluorooxoborate with Four Different Anionic Units
Han, G., Shi, G., Wang, Y., Zhang, B., Han, S., Zhang, F., . . . Pan, S. (2018). K<sub>3</sub>B<sub>6</sub>O<sub>9</sub>F<sub>3</sub>: A New Fluorooxoborate with Four Different Anionic Units. CHEMISTRY-A EUROPEAN JOURNAL, 24(18), 4497-+. doi:10.1002/chem.201705751
2017
Growth, Properties, and Theoretical Analysis of M<sub>2</sub>LiVO<sub>4</sub> (M = Rb, Cs) Crystals: Two Potential Mid-Infrared Nonlinear Optical Materials
Han, G., Wang, Y., Su, X., Yang, Z., & Pan, S. (2017). Growth, Properties, and Theoretical Analysis of M<sub>2</sub>LiVO<sub>4</sub> (M = Rb, Cs) Crystals: Two Potential Mid-Infrared Nonlinear Optical Materials. SCIENTIFIC REPORTS, 7. doi:10.1038/s41598-017-02117-0
Syntheses, crystal structures and characterization of three alkaline metal borates
Sambasivam, S., Liu, L., Yang, Y., Han, G., Bashir, B., Yang, Z., & Pan, S. (n.d.). Syntheses, crystal structures and characterization of three alkaline metal borates. CrystEngComm, 19(18), 2561-2569. doi:10.1039/c7ce00450h
2016
Role of the metal cation types around VO4 groups on the nonlinear optical behavior of materials: experimental and theoretical analysis.
Su, X., Yang, Z., Han, G., Wang, Y., Wen, M., & Pan, S. (2016). Role of the metal cation types around VO4 groups on the nonlinear optical behavior of materials: experimental and theoretical analysis.. Dalton transactions (Cambridge, England : 2003), 45(36), 14394-14402. doi:10.1039/c6dt02317g
Experimental and theoretical studies on the linear and nonlinear optical properties of lead phosphate crystals LiPbPO<sub>4</sub>
Han, G., Liu, Q., Wang, Y., Su, X., Yang, Z., & Pan, S. (2016). Experimental and theoretical studies on the linear and nonlinear optical properties of lead phosphate crystals LiPbPO<sub>4</sub>. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 18(28), 19123-19129. doi:10.1039/c6cp02672a