Synthesis, Characterization, and Theory of [9]-, [12]-, and [18]Cycloparaphenylene: Carbon Nanohoop Structures

por Jasti, Ramesh, Bhattacharjee, Joydeep, Neaton, Jeffrey B., Bertozzi, Carolyn R.
Publicado 2008

Theory and computation of hot carriers generated by surface plasmon polaritons in noble metals

por Bernardi, Marco, Mustafa, Jamal, Neaton, Jeffrey B., Louie, Steven G.
Publicado 2015

Reliable Energy Level Alignment at Physisorbed Molecule–Metal Interfaces from Density Functional Theory

por Egger, David A., Liu, Zhen-Fei, Neaton, Jeffrey B., Kronik, Leeor
Publicado 2015

Chemically Localized Resonant Excitons in Silver–Pnictogen Halide Double Perovskites

por Biega, Raisa-Ioana, Filip, Marina R., Leppert, Linn, Neaton, Jeffrey B.
Publicado 2021

Screening of Excitons by Organic Cations in Quasi-Two-Dimensional Organic–Inorganic Lead-Halide Perovskites

por Filip, Marina R., Qiu, Diana Y., Del Ben, Mauro, Neaton, Jeffrey B.
Publicado 2022

An automatically curated first-principles database of ferroelectrics

por Smidt, Tess E., Mack, Stephanie A., Reyes-Lillo, Sebastian E., Jain, Anubhav, Neaton, Jeffrey B.
Publicado 2020

Density of states prediction for materials discovery via contrastive learning from probabilistic embeddings

por Kong, Shufeng, Ricci, Francesco, Guevarra, Dan, Neaton, Jeffrey B., Gomes, Carla P., Gregoire, John M.
Publicado 2022

Enhancement of CO(2) binding and mechanical properties upon diamine functionalization of M(2)(dobpdc) metal–organic frameworks

por Lee, Jung-Hoon, Siegelman, Rebecca L., Maserati, Lorenzo, Rangel, Tonatiuh, Helms, Brett A., Long, Jeffrey R., Neaton, Jeffrey B.
Publicado 2018

Anisotropic Dirac Fermions in BaMnBi(2) and BaZnBi(2)

por Ryu, Hyejin, Park, Se Young, Li, Lijun, Ren, Weijun, Neaton, Jeffrey B., Petrovic, Cedomir, Hwang, Choongyu, Mo, Sung-Kwan
Publicado 2018

Correction: Enhancement of CO(2) binding and mechanical properties upon diamine functionalization of M(2)(dobpdc) metal–organic frameworks

por Lee, Jung-Hoon, Siegelman, Rebecca L., Maserati, Lorenzo, Rangel, Tonatiuh, Helms, Brett A., Long, Jeffrey R., Neaton, Jeffrey B.
Publicado 2019

Correction: CO(2) induced phase transitions in diamine-appended metal–organic frameworks

por Vlaisavljevich, Bess, Schnell, Sondre K., Dzubak, Allison L., Lee, Kyuho, Planas, Nora, Neaton, Jeffrey B., Gagliardi, Laura, Smit, Berend
Publicado 2019

CO(2) induced phase transitions in diamine-appended metal–organic frameworks

por Vlaisavljevich, Bess, Odoh, Samuel O., Schnell, Sondre K., Dzubak, Allison L., Lee, Kyuho, Planas, Nora, Neaton, Jeffrey B., Gagliardi, Laura, Smit, Berend
Publicado 2015

A reversible single-molecule switch based on activated antiaromaticity

por Yin, Xiaodong, Zang, Yaping, Zhu, Liangliang, Low, Jonathan Z., Liu, Zhen-Fei, Cui, Jing, Neaton, Jeffrey B., Venkataraman, Latha, Campos, Luis M.
Publicado 2017

Outer-valence Electron Spectra of Prototypical Aromatic Heterocycles from an Optimally Tuned Range-Separated Hybrid Functional

por Egger, David A., Weissman, Shira, Refaely-Abramson, Sivan, Sharifzadeh, Sahar, Dauth, Matthias, Baer, Roi, Kümmel, Stephan, Neaton, Jeffrey B., Zojer, Egbert, Kronik, Leeor
Publicado 2014

Inversion symmetry and bulk Rashba effect in methylammonium lead iodide perovskite single crystals

por Frohna, Kyle, Deshpande, Tejas, Harter, John, Peng, Wei, Barker, Bradford A., Neaton, Jeffrey B., Louie, Steven G., Bakr, Osman M., Hsieh, David, Bernardi, Marco
Publicado 2018

Performance of van der Waals Corrected Functionals for Guest Adsorption in the M(2)(dobdc) Metal–Organic Frameworks

por Vlaisavljevich, Bess, Huck, Johanna, Hulvey, Zeric, Lee, Kyuho, Mason, Jarad A., Neaton, Jeffrey B., Long, Jeffrey R., Brown, Craig M., Alfè, Dario, Michaelides, Angelos, Smit, Berend
Publicado 2017

Excited-state vibrational dynamics toward the polaron in methylammonium lead iodide perovskite

por Park, Myeongkee, Neukirch, Amanda J., Reyes-Lillo, Sebastian E., Lai, Minliang, Ellis, Scott R., Dietze, Daniel, Neaton, Jeffrey B., Yang, Peidong, Tretiak, Sergei, Mathies, Richard A.
Publicado 2018

Tuning the bandgap of Cs(2)AgBiBr(6) through dilute tin alloying

por Lindquist, Kurt P., Mack, Stephanie A., Slavney, Adam H., Leppert, Linn, Gold-Parker, Aryeh, Stebbins, Jonathan F., Salleo, Alberto, Toney, Michael F., Neaton, Jeffrey B., Karunadasa, Hemamala I.
Publicado 2019

Spin-dependent vibronic response of a carbon radical ion in two-dimensional WS(2)

por Cochrane, Katherine A., Lee, Jun-Ho, Kastl, Christoph, Haber, Jonah B., Zhang, Tianyi, Kozhakhmetov, Azimkhan, Robinson, Joshua A., Terrones, Mauricio, Repp, Jascha, Neaton, Jeffrey B., Weber-Bargioni, Alexander, Schuler, Bruno
Publicado 2021

Fermi-crossing Type-II Dirac fermions and topological surface states in NiTe(2)

por Mukherjee, Saumya, Jung, Sung Won, Weber, Sophie F., Xu, Chunqiang, Qian, Dong, Xu, Xiaofeng, Biswas, Pabitra K., Kim, Timur K., Chapon, Laurent C., Watson, Matthew D., Neaton, Jeffrey B., Cacho, Cephise
Publicado 2020