Extending density functional embedding theory for covalently bonded systems

Por Yu, Kuang, Carter, Emily A.
Publicado no Proc Natl Acad Sci U S A (2017)

Finding transition states for crystalline solid–solid phase transformations

Por Caspersen, Kyle J., Carter, Emily A.
Publicado em 2005

Prediction of a low-temperature N(2) dissociation catalyst exploiting near-IR–to–visible light nanoplasmonics

Por Martirez, John Mark P., Carter, Emily A.
Publicado no Sci Adv (2017)

Atomic-scale insight and design principles for turbine engine thermal barrier coatings from theory

Por Marino, Kristen A., Hinnemann, Berit, Carter, Emily A.
Publicado em 2011

Revisiting Photoemission and Inverse Photoemission Spectra of Nickel Oxide from First Principles: Implications for Solar Energy Conversion

Por Alidoust, Nima, Toroker, Maytal Caspary, Carter, Emily A.
Publicado em 2014

The Role of Surface-Bound Dihydropyridine Analogues in Pyridine-Catalyzed CO(2) Reduction over Semiconductor Photoelectrodes

Por Senftle, Thomas P., Lessio, Martina, Carter, Emily A.
Publicado no ACS Cent Sci (2017)

Dissociative Chemisorption of O(2) on Al(111): Dynamics on a Correlated Wave-Function-Based Potential Energy Surface

Por Yin, Rongrong, Zhang, Yaolong, Libisch, Florian, Carter, Emily A., Guo, Hua, Jiang, Bin
Publicado no J Phys Chem Lett (2018)

Understanding the apparent fractional charge of protons in the aqueous electrochemical double layer

Por Chen, Leanne D., Bajdich, Michal, Martirez, J. Mark P., Krauter, Caroline M., Gauthier, Joseph A., Carter, Emily A., Luntz, Alan C., Chan, Karen, Nørskov, Jens K.
Publicado no Nat Commun (2018)

Heterometallic antenna−reactor complexes for photocatalysis

Por Swearer, Dayne F., Zhao, Hangqi, Zhou, Linan, Zhang, Chao, Robatjazi, Hossein, Martirez, John Mark P., Krauter, Caroline M., Yazdi, Sadegh, McClain, Michael J., Ringe, Emilie, Carter, Emily A., Nordlander, Peter, Halas, Naomi J.
Publicado no Proc Natl Acad Sci U S A (2016)

How To Identify Plasmons from the Optical Response of Nanostructures

Por Zhang, Runmin, Bursi, Luca, Cox, Joel D., Cui, Yao, Krauter, Caroline M., Alabastri, Alessandro, Manjavacas, Alejandro, Calzolari, Arrigo, Corni, Stefano, Molinari, Elisa, Carter, Emily A., García de Abajo, F. Javier, Zhang, Hui, Nordlander, Peter
Publicado no ACS Nano (2017)