Curriculum vitae and publications

Anna J. Lehner
[email protected]
http://tinyurl.com/alehner
Post-Doctoral Researcher
Materials Research Laboratory
University of California
Santa Barbara, CA 93106-5121
updated December 2014
Currently since February 2014
As a Post-Doctoral fellow at UCSB I work on the synthesis, experimental characterization and computational modelling of functional materials. In collaboration with Prof. R.
Seshadri, Prof. F. Wudl, Prof. M. L. Chabinyc, and Prof. G. D. Stucky I focus on materials
for lithium and sodium conversion type batteries as well as on main-group metal halide
perovskite photovoltaics.
Research vision
Working towards environmentally friendly and sustainable energy conversion and storage
through the synthesis and characterization of new materials for electrochemical energy
storage and photovoltaic applications. Deriving a fundamental understanding of structureproperty relationships and reaction mechanisms of functional materials.
Education
2010 – 2013
Doctorate in Chemistry, Universit¨
at Freiburg, Germany,
Thesis: Thiooxometallate – Strukturchemie, spektroskopische Eigenschaften und chemische Bindung (summa cum laude),
Adviser: Prof. Dr. C. R¨
ohr
2004 – 2009
Diploma in Chemistry, Universit¨
at Freiburg
Thesis: Beitr¨
age zur Chemie von Perhalomethylkationen und neuen
Oxidationsmitteln (grade 1.0), Adviser: Prof. Dr. I. Krossing
Awards and Recognition
2014 – present
2013
2012 – 2013
2010 – 2012
2010
2010
2010
2007 – 2009
2007
2004 – 2009
Post-Doctoral scholarship of the Swiss National Fonds, SNF
Post-Doctoral scholarship of the DAAD (declined to accept SNF)
Promotionsabschlussstipendium, LGFG Baden-W¨
urttemberg
Ph.D. scholarship of the Fonds der chemischen Industrie
Steinhofer award for course achievement, Universit¨
at Freiburg
Ph.D. scholarship LGFG Baden-W¨
urttemberg
Alumni award for course achievement, Universit¨
at Freiburg
Book money bursary, Studienstiftung des deutschen Volkes
Faculty award for undergraduate achievement, Universit¨
at Freiburg
Scholarship of the Bayerische Begabtenf¨
orderung
1/3
Skills
Inorganic synthesis at high temperatures, air-free techniques, gas reactions, hydro/solvothermal methods, transport reactions, ampoule sealing, microwave reactions,
electrochemical cell and PV device fabrication, clean-room experience
Characterization: Crystal structure determination by X-ray diffraction (single crystals
or powders including Rietveld refinement), crystallography, NMR, IR/Raman, and UVVis spectroscopy, UPS/XPS, electron microscopy, thermoanalytical measurements, techniques of electrochemical and opto-electronic device characterization
Quantum chemical calculations of the electronic structure and properties of molecules and periodic solids (programs Turbomole, Gaussian, Wien2k, VASP)
Teaching and Mentoring
Supervised Inorganic Chemistry advanced lab courses. Designed quizzes, graded lab
reports, and instructed students during doctorate.
Mentored researchers during a Teaching Degree, B.Sc, Diploma thesis and during a
summer internship
Taught Inorganic and Physical Chemistry courses for three semesters at Freiburg, filled
in for Prof. R. Seshadri for graduate class on Inorganic materials at UCSB.
Professional affiliations
Member of the German Crystallographic Society
Member of the European Crystallographic Association
(Secretary of GIG1, Young Crystallographers)
Publications
10.
J. Brgoch, A. J. Lehner, M. Chabinyc, R. Seshadri: Ab-initio calculatins of band gaps and
absolute band positions of polymorphs of RbPbI3 and CsPbI3 : Implications for maingroup halide perovskite photovoltaics. J. Phys. Chem. C (2014) 118, 27721–27727. doi
9.
A. J. Lehner, C. R¨
ohr: Potassium Double Salts with the Mixed Trisulfidometalate Ions
[MoOS3 ]2− and [WOS3 ]2− . Z. Naturforsch. (2013) 68b, 761–777. doi
8.
A. J. Lehner, L. V. Schindler, C. R¨
ohr: Crystal Structures of the Alkali Thiosulfates
1
A2 S2 O3 · nH2 O (A/n = K/0, K/ 3 , Rb/1). Z. Naturforsch. (2013) 68b, 323–337. doi
7.
M. Daub, A. J. Lehner, H. H¨
oppe: Synthesis, Crystal Structure and Optical Properties of
Na2 RE (PO4 )(WO4 ) (RE = Y, Tb-Lu). Dalton Trans. (2012) 42, 12121–12128. doi
6.
A. J. Lehner, M. Braitsch, C. R¨
ohr: Hydrates of the Alkali Trioxidomonosulfidomolybdates and -tungstates: K2 [(Mo/W)O3 S] · 1.5 H2 O and (Rb/Cs)2 [(Mo/W)O3 S] · H2 O. Z.
Kristallogr. (2012) 227, 557–568. doi
5.
A. J. Lehner, K. Kraut, C. R¨
ohr: Gemischte Alkalimetall-Oxidosulfidomolybdate
A2 [MoOx S4−x ] (x = 1, 2, 3; A = K, Rb, Cs, NH4 ). Synthesen, Kristallstrukturen und
Eigenschaften. Z. Naturforsch. (2012) 67b, 127–148.
4.
T. K¨
ochner, N. Trapp, T. A. Engesser, A. J. Lehner, C. R¨
ohr, S. Riedel, C. Knapp, H.
Scherer, I. Krossing: In-Between Complex and Cluster: A 14-Vertex Cage in [Ag2 Se12 ]2+ .
Angew. Chem. Int. Ed. (2011) 50, 11253–11256. doi
2/3
3.
+
A. J. Lehner, N. Trapp, H. Scherer, I. Krossing: CCl+
3 and CBr3 salts with the
F
−
F
F
−
F
[Al(OR )4 ] and [( RO)3 Al-F-Al(OR )3 ] anions (R = C(CF3 )3 ). Dalton Trans.
(2011) 40, 1448–1452. doi
2.
T. K¨
ochner, S. Riedel, A. J. Lehner, H. Scherer, I. Raabe, T. A. Engesser, F. W. Scholz,
U. Gellrich, P. Eiden, R. A. Paz Schmidt, D. A. Plattner, I. Krossing: The Reaction of
F
−
+
White Phosphorus with NO+ /NO+
2 [Al(OR )4 ] : The [P4 NO] Cluster Formed by an
Unexpected Nitrosonium Insertion. Angew. Chem. Int. Ed. (2010) 49, 8319–8143. doi
1.
M. Schroeder, T. Schl¨
oder, A. J. Lehner, H. Hillebrecht: Synthesis, Structure,
Bonding, and Properties of Sc3 Al3 O5 C2 and ScAl2 ONC; Unique Compounds with
Ordered Distribution of Anions and Cations, Inorg. Chem. (2010) 49, 3130–3140. doi
Oral presentations
4.
3.
2.
1.
Materials Research Society Fall Meeting, Boston, USA (2014):
First-principles studies of 6s2 6p0 perovskites of relevance to hybrid photovoltaics.
Seminar on Solid-State Chemistry, Hirschegg, Austria (2012):
Gemischte Oxidosulfidometallate: Variationen von chemischer Formel, Strukturchemie
und Farbigkeit in Experiment und Theorie.
NASSCC conference, Hamilton, Canada (2011):
Mixed Thiooxotungstates and molybdates A2 [(Mo/W)Sx O4−x ] (x = 1-3; A = K, Rb,
Cs, NH4 ): Synthesis, Structural Chemistry and Properties.
Seminar on Solid-State Chemistry, Hirschegg, Austria (2010):
Thiooxomolybdate ... wie zerbrochene Fl¨
ugel von Lytta vesicatoria.
Selected poster presentations
7.
6.
5.
4.
3.
21. DGK conference, Freiberg, Germany:
A. J. Lehner, L. V. Schindler, C. R¨
ohr: The crystal structure of the potassiumtrisulphidometallate double salts K3 [M OS3 ]Y (M = Mo, W; Y = Cl, SH) and
K6 [WOS3 ]2 (S2 O3 ) and the crystal structure of K2 (S2 O3 ). Z. Kristallogr. Suppl. (2013)
33.
27. ECM conference, Bergen, Norway:
A. J. Lehner, C. R¨
ohr: Crystal chemistry and electronic structures of thiooxo metallates.
Acta Crystallogr. A (2012) S205.
4. SPSSM conference, Bordeaux, France:
A. J. Lehner, C. R¨
ohr: Thiooxo Metallates: A model system for crystal chemistry and
UV/VIS spectra relations. (2012)
12. DGK conference, M¨
unchen, Germany:
A. J. Lehner, C. R¨
ohr: A new thiooxorhenate (Et4 N)2 [(ReO(S4 ))2 (S2 )(S)] and the reinvestigation of the crystal structure of (Et4 N)[ReS4 ]. Z. Kristallogr. Suppl. (2012) 32,
93.
Joint Meeting of the DGK and DMG, Salzburg, Austria:
A. J. Lehner, M. Braitsch, C. R¨
ohr: Gemischte Thiooxowolframate A2 [WOx S4−x ]. Z.
Kristallogr. Suppl. (2011) 31.
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