Publications

WWU undergraduate student*, master’s student†

31) A.W. Clover,* A.P. Jones,* R.F. Berger, W. Kaminsky, and G.W. O’Neil. “Regioselective fluorohydrin synthesis from allylsilanes and evidence for a silicon-fluorine gauche effect”. J. Org. Chem. (2024), in press. Full text

30) C.R. Baiz, R.F. Berger, K.J. Donald, J.C. de Paula, S.D. Fried, B. Rubenstein, G.Y. Stokes, K. Takematsu, and C. Londergan. “Lowering Activation Barriers to Success in Physical Chemistry (LABSIP): A community project”. J. Phys. Chem. A 128, 3-9 (2023). Full text

29) M.O. Anunobi and R.F. Berger. “Energetic stability and band-edge orbitals of layered inorganic perovskite compounds for solar energy applications”. J. Phys. Chem. C 127, 20217-20225 (2023). Full text

28) R.F. Berger. “Electronic structure of oxide and halide perovskites”. In Comprehensive Inorganic Chemistry III, eds. J. Reedijk and K. Poeppelmeier, vol. 3, 4-25 (2023). Abstract

27) C. Teply,† B.A. Tyler,† and R.F. Berger. “Tuning the band gaps of oxide and halide perovskite compounds via biaxial strain in all directions”. Phys. Rev. B 103, 045127 (2021). Abstract

26) D.V. Cirlincione* and R.F. Berger. “Tuning the electronic structure of d0 perovskite oxides by combining distortive modes”. Phys. Rev. B 103, 045127 (2021). Abstract

25) J.A. Steele, H. Jin, I. Dovgaliuk, R.F. Berger, T. Braeckevelt, H. Yuan, C. Martin, E. Solano, K. Lejaeghere, S.M.J. Rogge, C. Notebaert, W. Vandezande, K.P.F. Janssen, B. Goderis, E. Debroye, Y.-K. Wang, Y. Dong, D. Ma, M. Saidaminov, H. Tan, Z. Lu, V. Dyadkin, D. Chernyshov, V. van Speybroeck, E.H. Sargent, J. Hofkens, and M.B.J. Roeffaers. “Thermal unequilibrium of strained black CsPbI3 thin films”. Science 365, 679-684 (2019). Abstract

24) G.R. McClarin* and R.F. Berger. “Confluence of structural distortion and A-site composition in the band gaps of perovskite niobate and tantalate photocatalysts”. Phys. Rev. B 100, 045202 (2019). Abstract

23) L.P. Grabill† and R.F. Berger. “Calibrating the extended Hückel method to quantitatively screen the electronic properties of materials”. Sci. Rep. 8, 10530 (2018). Full text

Perovskite mini-review image22) R.F. Berger. “Design principles for the atomic and electronic structure of halide perovskite photovoltaic materials: Insights from computation”. Chem. Eur. J. 24, 8708-8716 (2018). Abstract

21) E.L. Gormley* and R.F. Berger. “Binding maps for the study and prediction of bimetallic catalyst surface reactions: The case of methanol oxidation”. Int. J. Quantum Chem. 118, 25606 (2018). Abstract

20) K.Y. Tsui,* N. Onishi,* and R.F. Berger. “Tolerance factors revisited: Geometrically designing the ideal environment for perovskite dopants”. J. Phys. Chem. C 120, 23293-23298 (2016). Abstract

19) P.M. Cheung,* R.F. Berger, L.N. Zakharov, and J.D. Gilbertson. “Square planar Cu(I) stabilized by a pyridinediimine ligand”. Chem. Commun. 52, 4156-4159 (2016). Abstract

18) C. Grote* and R.F. Berger. “Strain tuning of tin-halide and lead-halide perovskites: A first-principles atomic and electronic structure study”. J. Phys. Chem. C 119, 22832-22837 (2015). Abstract

17) M. Delgado,* S.K. Sommer,* S.P. Swanson,* R.F. Berger, T. Seda, L.N. Zakharov, and J.D. Gilbertson. “Probing the protonation state and the redox-active sites of pendant base iron(II) and zinc(II) pyridinediimine complexes”. Inorg. Chem. 54, 7239-7248 (2015). Abstract

16) C. Grote,* B. Ehrlich,* and R.F. Berger. “Tuning the near-gap electronic structure of tin-halide and lead-halide perovskites via changes in atomic layering”. Phys. Rev. B 90, 205202 (2014). Abstract

15) R.F. Berger, D.P. Broberg, and J.B. Neaton. “Tuning the electronic structure of SrTiO3/SrFeO3-x superlattices via composition and vacancy control”. APL Mat. 2, 046101 (2014). Abstract

14) R. Poloni, K. Lee, R.F. Berger, B. Smit, and J.B. Neaton. “Understanding trends in CO2 adsorption in metal-organic frameworks with open-metal sites”. J. Phys. Chem. Lett. 5, 861-865 (2014). Abstract

13) A.P. Goldstein, S.C. Andrews, R.F. Berger, V.R. Radmilovic, J.B. Neaton, and P. Yang. “Zigzag inversion domain boundaries in indium zinc oxide-based nanowires: Structure and formation”. ACS Nano 7, 10747-10751 (2013). Abstract

12) C.-H. Lee, N.J. Podraza, Y. Zhu, R.F. Berger, S. Shen, M. Sestak, R.W. Collins, L.F. Kourkoutis, J.A. Mundy, H. Wang, Q. Mao, X. Xi, L.J. Brillson, J.B. Neaton, D.A. Muller, and D.G. Schlom. “Effect of reduced dimensionality on the optical band gap of SrTiO3”. Appl. Phys. Lett. 102, 122901 (2013). Abstract

11) R.F. Berger and J.B. Neaton. “Computational design of low-band-gap double perovskites”. Phys. Rev. B 86, 165211 (2012). Abstract

10) R.F. Berger, C.J. Fennie, and J.B. Neaton. “Band gap and edge engineering via ferroic distortion and anisotropic strain: The case of SrTiO3”. Phys. Rev. Lett. 107, 146804 (2011). Abstract

9) R.F. Berger, P.L. Walters, S. Lee, and R. Hoffmann. “Connecting the chemical and physical viewpoints of what determines structure: From 1-D chains to γ-brasses”. Chem. Rev. 111, 4522-4545 (2011). Abstract

8) M. Hemmida, H.-A. Krug von Nidda, N. Büttgen, A. Loidl, L.K. Alexander, R. Nath, A.V. Mahajan, R.F. Berger, R.J. Cava, Y. Singh, and D.C. Johnston. “Vortex dynamics and frustration in two-dimensional triangular chromium lattices”. Phys. Rev. B 80, 054406 (2009). Abstract

Cover image from Chemistry A European Journal7) R.F. Berger, S. Lee, J. Johnson, B. Nebgen, and A.C.Y. So. “Laves phases, γ-brass, and 2x2x2 superstructures: A new class of quasicrystal approximants and the suggestion of a new quasicrystal” (Cover). Chem. Eur. J. 14, 6627-6639 (2008). Abstract

6) R.F. Berger, S. Lee, J. Johnson, B. Nebgen, F. Sha, and J. Xu. “The mystery of perpendicular fivefold axes and the fourth dimension in intermetallic structures”. Chem. Eur. J. 14, 3908-3930 (2008). Abstract

5) D. Hsieh, D. Qian, R.F. Berger, R.J. Cava, J.W. Lynn, Q. Huang, and M.Z. Hasan. “Magnetic excitations in triangular lattice NaCrO2”. J. Phys. Chem. Solids 69, 3174-3175 (2008). Abstract

4) D. Hsieh, D. Qian, R.F. Berger, R.J. Cava, J.W. Lynn, Q. Huang, and M.Z. Hasan. “Unconventional spin order in the triangular lattice system NaCrO2: A neutron scattering study”. Physica B 403, 1341-1343 (2008). Abstract

Cover image from Chemistry A European Journal3) R.F. Berger, S. Lee, and R. Hoffmann. “A quantum mechanically guided view of Mg44Rh7” (Cover). Chem. Eur. J. 13, 7852-7863 (2007). Abstract

2) T. McQueen, Q. Huang, J.W. Lynn, R.F. Berger, T. Klimczuk, B.G. Ueland, P. Schiffer, and R.J. Cava. “Magnetic structure and properties of the S=5/2 triangular antiferromagnet α-NaFeO2”. Phys. Rev. B 76, 024420 (2007). Abstract

1) A. Olariu, P. Mendels, F. Bert, B.G. Ueland, P. Schiffer, R.F. Berger, and R.J. Cava. “Unconventional dynamics in triangular Heisenberg antiferromagnet NaCrO2”. Phys. Rev. Lett. 97, 167203 (2006). Abstract