First-principles investigations of the atomic, electronic, and thermoelectric properties of equilibrium and strained Bi2Se3 and Bi2Te3 including van der Waals interactions

بواسطة Luo, Xin, Sullivan, Michael B, Quek, Su Ying
منشور في 2020

First principles (DFT) characterization of RhI/dppp-catalyzed C-H activation by tandem 1,2-addition/1,4-Rh shift reactions of norbornene to phenylboronic acid

بواسطة Kantchev , Eric Assen B., Pangestu, Surya R., Zhou, Feng, Sullivan, Michael B., Su, Hai-Bin
منشور في 2014

Dopant chemical potential modulation on oxygen vacancies formation in In2O3: A comparative density functional study

بواسطة Yu, Zhi Gen, Sun, Jian, Sullivan Michael B., Zhang, Yong-Wei, Gong, Hao, Singh, David J.
منشور في 2016

Multi band gap electronic structure in CH3NH3PbI3

بواسطة Ong, Khuong P., Wu, Shunnian, Nguyen, Tien Hoa, Singh, David J., Fan, Zhen, Sullivan, Michael B., Dang, Cuong
منشور في 2019

EPIC STAR : a reliable and efficient approach for phonon- and impurity-limited charge transport calculations

بواسطة Deng, Tianqi, Wu, Gang, Sullivan, Michael B., Wong, Marvin Zicong, Hippalgaonkar, Kedar, Wang, Jian-Sheng, Yang, Shuo-Wang
منشور في 2021

Selective and stable CO₂ electroreduction to CH₄ via electronic metal-support interaction upon decomposition/redeposition of MOF

بواسطة Liu, Guanyu, Trinh, Quang Thang, Wang, Haojing, Wu, Shuyang, Arce-Ramos, Juan Manuel, Sullivan, Michael B., Kraft, Markus, Ager, Joel W., Zhang, Jia, Xu, Rong
منشور في 2023

Electronic transport descriptors for the rapid screening of thermoelectric materials

بواسطة Deng, Tianqi, Recatala-Gomez, Jose, Ohnishi, Masato, Repaka, D. V. Maheswar, Kumar, Pawan, Suwardi, Ady, Abutaha, Anas, Nandhakumar, Iris, Biswas, Kanishka, Sullivan, Michael B., Wu, Gang, Shiomi, Junichiro, Yang, Shuo-Wang, Hippalgaonkar, Kedar
منشور في 2022

Upcycling of non-biodegradable plastics by base metal photocatalysis

بواسطة Li, Chenfei, Kong, Xin Ying, Lyu, Maoping, Tay, Xiu Ting, Đokić, Miloš, Chin, Kek Foo, Yang, Crystal Ting, Lee, Erin Ke Xin, Zhang, Jinfan, Tham, Chun Yuan, Chan, Wei Xin, Lee, Wen Jie, Lim, Teik Thye, Goto, Atsushi, Sullivan, Michael B., Soo, Han Sen
منشور في 2023

Surface charge as activity descriptors for electrochemical CO₂ reduction to multi-carbon products on organic-functionalised Cu

بواسطة Lim, Carina Yi Jing, Yilmaz, Meltem, Arce-Ramos, Juan Manuel, Handoko, Albertus D., Teh, Wei Jie, Zheng, Yuangang, Khoo, Jonathan Zi Hui, Lin, Ming, Isaacs, Mark, Tam, Dexter Teck Lip, Bai, Yang, Ng, Chee Koon, Yeo, Boon Siang, Sankar, Gopinathan, Parkin, Ivan P., Hippalgaonkar, Kedar, Sullivan, Michael B., Zhang, Jia, Lim, Yee-Fun
منشور في 2023