Momentum-dependent band spin splitting in semiconducting MnO2: a density functional calculation

Rate and mechanism of the photoreduction of birnessite (MnO2) nanosheets

(2015) Francesco Femi Marafatto et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Robust Mesoporous Manganese Oxide Catalysts for Water Oxidation

(2015) Chung-Hao Kuo et al.   ACS Catalysis

Mn4Ca Cluster in Photosynthesis: Where and How Water is Oxidized to Dioxygen

(2014) Junko Yano et al.   CHEMICAL REVIEWS

Theoretical Study on the Role of Ca2+ at the S2 State in Photosystem II

(2014) Jingxiu Yang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A Functionally Stable Manganese Oxide Oxygen Evolution Catalyst in Acid

(2014) Michael Huynh et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Native structure of photosystem II at 1.95 Å resolution viewed by femtosecond X-ray pulses

(2014) Michihiro Suga et al.   NATURE

Electronic structure of the oxygen-evolving complex in photosystem II prior to O-O bond formation

(2014) N. Cox et al.   SCIENCE

Influence of the Ca 2+ ion on the Mn 4 Ca conformation and the H-bond network arrangement in Photosystem II

(2013) Keisuke Saito et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

Water-oxidation catalysis by synthetic manganese oxides – systematic variations of the calcium birnessite theme

(2013) Carolin E. Frey et al.   DALTON TRANSACTIONS

Photochemical Water Oxidation by Crystalline Polymorphs of Manganese Oxides: Structural Requirements for Catalysis

(2013) David M. Robinson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Substrate Water Exchange for the Oxygen Evolving Complex in PSII in the S1, S2, and S3 States

(2013) Per E. M. Siegbahn   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Evolution of crystal structures in metallic elements

(2013) Atsushi Togo et al.   PHYSICAL REVIEW B

Two Interconvertible Structures that Explain the Spectroscopic Properties of the Oxygen-Evolving Complex of Photosystem II in the S2State

(2012) Dimitrios A. Pantazis et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

First-principles DFT+U studies of the atomic, electronic, and magnetic structure of α-MnO2 (cryptomelane)

(2012) Eric Cockayne et al.   CHEMICAL PHYSICS LETTERS

AFLOW: An automatic framework for high-throughput materials discovery

(2012) Stefano Curtarolo et al.   COMPUTATIONAL MATERIALS SCIENCE

Magnetic properties and energy-mapping analysis

(2012) Hongjun Xiang et al.   DALTON TRANSACTIONS

Inhibition of Charge Disproportionation of MnO2 Electrocatalysts for Efficient Water Oxidation under Neutral Conditions

(2012) Toshihiro Takashima et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Layered manganese oxides for water-oxidation: alkaline earth cations influence catalytic activity in a photosystem II-like fashion

(2012) Mathias Wiechen et al.   Chemical Science

Electrocatalytic Oxygen Evolution Reaction (OER) on Ru, Ir, and Pt Catalysts: A Comparative Study of Nanoparticles and Bulk Materials

(2012) Tobias Reier et al.   ACS Catalysis

Mesoporous Silica-Coated Hollow Manganese Oxide Nanoparticles as PositiveT1Contrast Agents for Labeling and MRI Tracking of Adipose-Derived Mesenchymal Stem Cells

(2011) Taeho Kim et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mechanisms of pH-Dependent Activity for Water Oxidation to Molecular Oxygen by MnO2 Electrocatalysts

(2011) Toshihiro Takashima et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Crystal structure of oxygen-evolving photosystem II at a resolution of 1.9 Å

(2011) Yasufumi Umena et al.   NATURE

A formation mechanism of oxygen vacancies in a MnO2 monolayer: a DFT + U study

(2011) Chenghua Sun et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Calcium Manganese(III) Oxides (CaMn2O4⋅x H2O) as Biomimetic Oxygen-Evolving Catalysts

(2010) Mohammad Mahdi Najafpour et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

High-throughput electronic band structure calculations: Challenges and tools

(2010) Wahyu Setyawan et al.   COMPUTATIONAL MATERIALS SCIENCE

Water Oxidation by λ-MnO2: Catalysis by the Cubical Mn4O4Subcluster Obtained by Delithiation of Spinel LiMn2O4

(2010) David M. Robinson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

The other half of the equation

(2008) John Turner   NATURE MATERIALS

Defect-Induced Photoconductivity in Layered Manganese Oxides: A Density Functional Theory Study

(2008) Kideok D. Kwon et al.   PHYSICAL REVIEW LETTERS