Impact of Stoichiometry on the Electronic Structure of PbS Quantum Dots

by Kim, Donghun, Kim, Dong-Ho, Lee, Joo-Hyoung, Grossman, Jeffrey C.
Published 2013

Interface electronic structure at the topological insulator-ferrimagnetic insulator junction

by Kubota, Y, Murata, K, Miyawaki, J, Ozawa, K, Shirasawa, T, Feng, B, Yamamoto, Sh, Liu, R-Y, Yamamoto, S, Mahatha, S K, Sheverdyaeva, P, Moras, P, Suga, S, Harada, Y, Wang, K L, Matsuda, I, Onbasli, Mehmet Cengiz, Ross, Caroline A
Published 2017

Electronic-Structure Origin of Cation Disorder in Transition-Metal Oxides

by Urban, Alexander, Artrith, Nongnuch, Ceder, Gerbrand, Abdellahi, Aziz, Dacek, Stephen Thomas
Published 2017

Tuning Electronic Structure of Single Layer MoS₂ through Defect and Interface Engineering

by Yin, Kedi, Ling, Xi, Xue, Jianmin, Chen, Yan, Huang, Shengxi, Ji, Xiang, Adepalli, Kiran Kumar, Wang, Xinwei, Dresselhaus, Mildred, Kong, Jing, Yildiz, Bilge
Published 2019

First-principles electronic structure and relative stability of pyrite and marcasite: Implications for photovoltaic performance

by Sun, Ruoshi, Chan, Maria K., Ceder, Gerbrand
Published 2011

Revealing quantum mechanical effects in enzyme catalysis with large-scale electronic structure simulation

by Yang, Zhongyue, Mehmood, Rimsha, Wang, Mengyi, Qi, Helena Wen, Steeves, Adam H., Kulik, Heather Janine
Published 2019

Communication: Recovering the flat-plane condition in electronic structure theory at semi-local DFT cost

by Bajaj, Akash, Janet, Jon Paul, Kulik, Heather Janine
Published 2019

DesDesigning in the Face of Uncertainty: Exploiting Electronic Structure and Machine Learning Models for Discovery in Inorganic Chemistry

by Janet, Jon Paul, Liu, Fang, Nandy, Aditya, Duan, Chenru, Yang, Tzuhsiung, Lin, Sean, Kulik, Heather Janine
Published 2021

Impact of Sr segregation on the electronic structure and oxygen reduction activity of SrTi[subscript 1−x]Fe[subscript x]O[subscript 3] surfaces

by Chen, Yan, Cai, Zhuhua, Kim, Jae Jin, Tuller, Harry L., Yildiz, Bilge, Jung, Woo Chul
Published 2014

Electronic Structure of the Topological Insulator Bi[subscript 2]Se[subscript 3] Using Angle...

by Pan, Z.-H, Vescovo, E., Fedorov, A. V., Gardner, Dillon Richard, Lee, Young S., Chu, Shaoyan, Gu, G. D., Valla, T.
Published 2011

Thermoelectric properties of nanoporous Ge

by Lee, Joo-Hyoung, Grossman, Jeffrey C.
Published 2013

Chemical, Electronic and Nanostructure Dynamics on Sr(Ti[subscript 1 - x]FE[subscript x])O[subscript 3] Thin-Film Surfaces at High Temperatures

by Chen, Yan, Jung, Woo Chul, Kuru, Yener, Tuller, Harry L., Yildiz, Bilge
Published 2013

Probing LaMO₃ Metal and Oxygen Partial Density of States Using X‑ray Emission, Absorption, and Photoelectron Spectroscopy

by Moritz, Brian, Devereaux, Thomas P., Yang, Wanli, Hong, Wesley Terrence, Stoerzinger, Kelsey Ann, Shao-Horn, Yang
Published 2018

Seeing Is Believing: Experimental Spin States from Machine Learning Model Structure Predictions

by Taylor, Michael D., Yang, Tzuhsiung, Lin, Sean, Nandy, Aditya, Janet, Jon Paul, Duan, Chenru, Kulik, Heather Janine
Published 2020

Microscopic picture of Co clustering in ZnO

by Iusan, Diana, Kabir, Mohammad Mukul, Granas, Oscar, Eriksson, Olle, Sanyal, Biplab
Published 2010

Electronic entropy contribution to the metal insulator transition in VO2

by Paras, J., Allanore, Antoine
Published 2021

Optimization of the Thermoelectric Figure of Merit in Crystalline C₆₀ with Intercalation Chemistry

by Kim, Jeong Yun, Grossman, Jeffrey C.
Published 2017

Energy gap of Kronig-Penney-type hydrogenated graphene superlattices

by Lee, Joo-Hyoung, Grossman, Jeffrey C.
Published 2012

Earth abundant materials for high efficiency heterojunction thin film solar cells

by Bertoni, Mariana I., Ceder, Gerbrand, Lee, Yun Seog, Buonassisi, Anthony, Chan, Maria K
Published 2010

Size Influence on the Oxygen Reduction Reaction Activity and Instability of Supported Pt Nanoparticles

by Sheng, Wenchao, Chen, Shuo, Vescovo, Elio, Shao-Horn, Yang
Published 2013