Publications

Filters: Author is Seshadri, Ram [Clear All Filters]

2015

Lehner AJ, Fabini DH, Evans HA, Hébert C-A, Smock SR, Hu J, Wang H, Zwanziger JW, Chabinyc ML, Seshadri R. 2015. Crystal and Electronic Structures of Complex Bismuth Iodides A 3Bi2I9 (A= K, Rb, Cs) Related to Perovskite: Aiding the Rational Design of Photovoltaics. Chemistry of Materials. 27:7137–7148.

Lehner AJ, Wang H, Fabini DH, Liman CD, Hébert C-A, Perry EE, Wang M, Bazan GC, Chabinyc ML, Seshadri R. 2015. Electronic structure and photovoltaic application of BiI3. Applied Physics Letters. 107:131109.

Knappschneider A, Litterscheid C, Brgoch J, George NC, Henke S, Cheetham AK, Hu JG, Seshadri R, Albert B. 2015. Manganese Tetraboride, MnB4: High-Temperature Crystal Structure, p–n Transition, 55Mn NMR Spectroscopy, Solid Solutions, and Mechanical Properties. Chemistry-A European Journal. 21:8177–8181.

Britto S, Leskes M, Hua X, Hébert C-A, Shin HSuk, Clarke S, Borkiewicz O, Chapman KW, Seshadri R, Cho J et al.. 2015. Multiple Redox Modes in the Reversible Lithiation of High-Capacity, Peierls-Distorted Vanadium Sulfide. Journal of the American Chemical Society. 137:8499–8508.

2014

Brgoch J, Lehner AJ, Chabinyc M, Seshadri R. 2014. Ab Initio Calculations of Band Gaps and Absolute Band Positions of Polymorphs of RbPbI3 and CsPbI3: Implications for Main-Group Halide Perovskite Photovoltaics. The Journal of Physical Chemistry C. 118:27721–27727.

Denault KA, Brgoch J, Gaultois MW, Mikhailovsky A, Petry R, Winkler H, DenBaars SP, Seshadri R. 2014. Consequences of Optimal Bond Valence on Structural Rigidity and Improved Luminescence Properties in Sr x Ba2–x SiO4: Eu2+ Orthosilicate Phosphors. Chemistry of Materials. 26:2275–2282.

Krishnapriyan A, Barton PT, Miao M, Seshadri R. 2014. First-principles study of band alignments in the p-type hosts BaM2X2 (M= Cu, Ag; X= S, Se). Journal of Physics: Condensed Matter. 26:155802.

Douglas JE, Chater PA, Brown CM, Pollock TM, Seshadri R. 2014. Nanoscale structural heterogeneity in Ni-rich half-Heusler TiNiSn. Journal of Applied Physics. 116:163514.

Douglas JE, Birkel CS, Verma N, Miller VM, Miao M-S, Stucky GD, Pollock TM, Seshadri R. 2014. Phase stability and property evolution of biphasic Ti–Ni–Sn alloys for use in thermoelectric applications. Journal of Applied Physics. 115:043720–043720.

Misch LM, Brgoch J, Birkel A, Mates TE, Stucky GD, Seshadri R. 2014. Rapid Microwave Preparation and ab Initio Studies of the Stability of the Complex Noble Metal Oxides La2BaPdO5 and La2BaPtO5. Inorganic chemistry.

2013

George NC, Pell AJ, Dantelle G, Page K, Llobet A, Balasubramanian M, Pintacuda G, Chmelka BF, Seshadri R. 2013. Local Environments of Dilute Activator Ions in the Solid-State Lighting Phosphor Y3–x Ce x Al5O12. Chemistry of Materials. 25:3979–3995.

Brgoch J, DenBaars SP, Seshadri R. 2013. Proxies from Ab Initio Calculations for Screening Efficient Ce3+ Phosphor Hosts. The Journal of Physical Chemistry C. 117:17955–17959.

Miao M, Brgoch J, Krishnapriyan A, Goldman A, Kurzman JA, Seshadri R. 2013. On the Stereochemical Inertness of the Auride Lone Pair: Ab Initio Studies of AAu (A= K, Rb, Cs). Inorganic chemistry. 52:8183–8189.

2012

Denault K, Paden S, Brinkley S, Mikhailovsky AA, Neuefeind JC, DenBaars SP, Seshadri R. 2012. A green-yellow emitting oxyfluoride solid solution phosphor Sr2Ba (AlO4F) 1- x (SiO5) x: Ce3+ for thermally stable, high color rendition solid state white lighting. Journal of Materials Chemistry. 22:18204.

Pho TV, Yuen JD, Kurzman JA, Smith BG, Miao M, Walker WT, Seshadri R, Wudl F. 2012. N-Alkyldinaphthocarbazoles, Azaheptacenes, for Solution-Processed Organic Field-Effect Transistors. Journal of the American Chemical Society. 134(44):18185–18188.

2011

Knappschneider A, Litterscheid C, Kurzman JA, Seshadri R, Albert B. 2011. Crystal structure refinement and bonding patterns of CrB4: a boron-rich boride with a framework of tetrahedrally coordinated B atoms.. Inorganic Chemistry. 50(21):10540–10542.

Shoemaker DP, Llobet A, Tachibana M, Seshadri R. 2011. Reverse Monte Carlo neutron scattering study of the’ordered-ice’oxide pyrochlore Pb2Ru2O6. Journal of Physics: Condensed Matter. 23(31):315404.

2010

Corr SA, Shoemaker DP, Melot BC, Seshadri R. 2010. Real-Space Investigation of Structural Changes at the Metal-Insulator Transition in VO{\_}2. Physical Review Letters. 105:056404.

Pages

Acknowledgements

Please acknowledge the CSC in publications and presentations if you are using our facilities computing resources in your research.

Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 1720256) at UC Santa Barbara.